#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3drd n HIS 3 N 0.00 0.00 -0.34 4.78 -0.00 -1.26 -4.65 115.22 113.75 3drd n HIS 3 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.74 3drd n HIS 3 Cb 0.00 -0.26 0.19 0.00 -0.00 0.00 0.00 29.99 29.92 3drd n HIS 3 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 3drd h ASP 4 N -0.04 1.01 -1.08 0.26 3.45 -2.03 -2.91 116.42 115.06 3drd h ASP 4 Ca -0.15 -0.00 0.30 0.00 0.43 0.00 0.00 57.03 57.60 3drd h ASP 4 Cb 1.22 -0.22 -0.07 0.00 -0.56 0.00 0.00 39.33 39.70 3drd h ASP 4 CO -0.04 0.67 0.74 -0.07 -1.57 0.00 0.00 179.24 178.97 3drd h LEU 5 N 1.15 0.22 -0.41 1.55 3.38 -2.00 -2.44 115.31 116.77 3drd h LEU 5 Ca 0.39 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.36 3drd h LEU 5 Cb 0.09 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3drd h LEU 5 CO -0.14 0.04 0.06 0.40 0.09 0.00 0.00 178.44 178.89 3drd h ILE 6 N 0.19 1.24 0.05 1.22 2.04 -1.83 -0.42 117.51 120.01 3drd h ILE 6 Ca 0.57 -0.89 -0.23 0.00 1.00 0.00 0.00 64.86 65.30 3drd h ILE 6 Cb 1.84 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 3drd h ILE 6 CO -0.15 0.31 -1.07 -0.08 0.00 0.00 0.00 178.15 177.15 3drd h GLU 7 N 0.54 0.13 -0.30 2.37 4.57 -1.64 -3.09 114.58 117.15 3drd h GLU 7 Ca 0.12 -0.21 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3drd h GLU 7 Cb 0.39 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 3drd h GLU 7 CO 0.01 1.08 0.12 0.87 -1.18 0.00 0.00 179.01 179.91 3drd h LYS 8 N 0.04 0.26 -0.81 1.92 1.79 -1.18 -2.12 116.57 116.47 3drd h LYS 8 Ca -0.06 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.44 3drd h LYS 8 Cb 1.81 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 32.35 3drd h LYS 8 CO 0.16 0.17 0.53 0.66 -1.08 0.00 0.00 179.45 179.89 3drd h SER 9 N 0.26 0.83 1.08 0.86 4.64 -1.11 -0.01 113.55 120.10 3drd h SER 9 Ca 0.13 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3drd h SER 9 Cb 0.08 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3drd h SER 9 CO -0.12 0.56 0.00 0.11 -0.87 0.00 0.00 176.83 176.51 3drd h LYS 10 N 0.95 0.00 0.00 4.77 1.57 -1.38 -2.78 116.57 119.70 3drd h LYS 10 Ca 0.33 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.77 3drd h LYS 10 Cb 0.11 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 3drd h LYS 10 CO -0.11 0.00 -2.15 1.17 -0.57 0.00 0.00 179.45 177.79 3drd n LYS 11 N -2.79 0.67 -0.05 3.15 4.81 -0.17 -4.74 118.16 119.04 3drd n LYS 11 Ca 0.02 0.10 -0.05 0.00 -0.87 0.00 0.00 58.31 57.51 3drd n LYS 11 Cb 0.32 -1.62 -0.08 0.00 0.02 0.00 0.00 35.03 33.67 3drd n LYS 11 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3drd n HIS 12 N -2.87 0.00 -2.27 5.64 8.25 -0.32 -5.05 115.22 118.59 3drd n HIS 12 Ca -0.28 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 56.88 3drd n HIS 12 Cb 1.12 -0.49 -0.00 0.00 1.12 0.00 0.00 29.99 31.74 3drd n HIS 12 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3drd s LEU 13 N -4.80 3.46 -0.22 2.41 1.43 -1.05 -5.07 118.68 114.84 3drd s LEU 13 Ca -0.06 1.26 -0.04 0.00 -1.03 0.00 0.00 54.13 54.27 3drd s LEU 13 Cb 0.03 -4.25 0.09 0.00 0.03 0.00 0.00 46.19 42.10 3drd s LEU 13 CO 0.40 -0.70 0.19 0.86 0.23 0.00 0.00 176.35 177.33 3drd s TRP 14 N -2.89 -0.13 0.22 0.29 -0.11 -1.26 -4.94 118.94 110.11 3drd s TRP 14 Ca 0.53 -0.10 -0.10 0.00 1.22 0.00 0.00 56.10 57.65 3drd s TRP 14 Cb -0.11 -0.52 -0.07 0.00 -1.50 0.00 0.00 33.47 31.27 3drd s TRP 14 CO 0.46 -0.67 0.54 -0.51 -4.62 0.00 0.00 176.95 172.15 3drd s LEU 15 N 2.26 4.19 0.47 5.86 1.43 -1.26 -5.06 118.68 126.57 3drd s LEU 15 Ca 0.07 0.92 -0.22 0.00 -1.03 0.00 0.00 54.13 53.86 3drd s LEU 15 Cb -0.16 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.36 3drd s LEU 15 CO -0.18 -0.05 1.10 -2.16 0.23 0.00 0.00 176.35 175.28 3drd s PRO 16 N -2.73 3.79 -1.85 1.29 0.04 -1.26 -3.59 135.00 130.69 3drd s PRO 16 Ca 0.46 1.58 -0.23 0.00 0.04 0.00 0.00 61.00 62.85 3drd s PRO 16 Cb -0.12 -2.29 0.23 0.00 0.04 0.00 0.00 34.50 32.37 3drd s PRO 16 CO 0.21 -0.48 0.58 1.19 0.04 0.00 0.00 177.00 178.54 3drd n PHE 17 N -0.66 -1.14 -3.71 0.56 3.72 -1.26 -4.94 117.46 110.04 3drd n PHE 17 Ca 0.08 0.68 -0.14 0.00 -0.05 0.00 0.00 57.45 58.02 3drd n PHE 17 Cb 0.50 -1.84 -0.14 0.00 -0.94 0.00 0.00 39.48 37.06 3drd n PHE 17 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 3drd s THR 18 N -3.22 -0.14 -0.11 4.37 -1.32 -1.24 -5.11 115.64 108.87 3drd s THR 18 Ca 0.81 0.22 -0.29 0.00 -1.21 0.00 0.00 61.69 61.22 3drd s THR 18 Cb -0.47 -0.32 -0.04 0.00 -1.51 0.00 0.00 72.50 70.16 3drd s THR 18 CO 1.01 0.09 1.57 -1.58 -2.21 0.00 0.00 174.62 173.50 3drd s GLN 19 N 1.60 4.12 0.50 7.08 2.00 -1.26 -4.72 119.66 128.97 3drd s GLN 19 Ca -0.05 1.99 0.28 0.00 -2.00 0.00 0.00 55.36 55.58 3drd s GLN 19 Cb -0.11 -3.95 1.17 0.00 0.80 0.00 0.00 33.01 30.92 3drd s GLN 19 CO -0.07 -0.90 1.92 0.52 -0.50 0.00 0.00 175.29 176.26 3drd h MET 20 N 9.48 0.00 -0.66 1.67 2.86 -1.99 -1.77 114.93 124.52 3drd h MET 20 Ca -0.36 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.21 3drd h MET 20 Cb 1.16 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.79 3drd h MET 20 CO 0.97 0.12 0.13 -0.22 1.06 0.00 0.00 176.91 178.97 3drd h LYS 21 N 0.00 1.06 -0.75 1.72 3.64 -1.99 0.02 116.57 120.26 3drd h LYS 21 Ca -0.00 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.10 3drd h LYS 21 Cb 0.60 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 3drd h LYS 21 CO 0.02 0.96 0.41 -0.44 -2.27 0.00 0.00 179.45 178.12 3drd h ASP 22 N 1.00 0.95 -0.36 4.20 3.45 -1.74 -2.70 116.42 121.22 3drd h ASP 22 Ca 0.20 -0.10 -0.06 0.00 0.43 0.00 0.00 57.03 57.50 3drd h ASP 22 Cb 0.40 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.91 3drd h ASP 22 CO 0.01 0.78 -0.02 0.22 -1.57 0.00 0.00 179.24 178.65 3drd h TYR 23 N 1.04 0.71 -0.23 4.55 3.20 -1.01 -2.29 116.97 122.95 3drd h TYR 23 Ca 0.26 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3drd h TYR 23 Cb 0.04 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3drd h TYR 23 CO 0.00 0.76 0.06 -0.44 -1.64 0.00 0.00 178.16 176.90 3drd h ASP 24 N 0.46 0.28 0.80 -2.11 3.32 -0.93 0.02 116.42 118.27 3drd h ASP 24 Ca 0.10 -0.03 -0.20 0.00 0.02 0.00 0.00 57.03 56.92 3drd h ASP 24 Cb 0.49 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3drd h ASP 24 CO 0.02 0.29 -0.92 -0.08 -1.72 0.00 0.00 179.24 176.83 3drd h GLU 25 N 0.32 0.07 -2.02 3.56 4.57 -1.32 -3.37 114.58 116.38 3drd h GLU 25 Ca 0.08 -0.09 -0.54 0.00 -1.18 0.00 0.00 59.36 57.62 3drd h GLU 25 Cb 0.13 0.03 -0.40 0.00 -0.16 0.00 0.00 28.75 28.35 3drd h GLU 25 CO -0.00 0.94 -1.08 0.09 -1.18 0.00 0.00 179.01 177.78 3drd n ASN 26 N -3.52 0.74 -4.76 1.04 3.02 -0.87 -5.11 115.26 105.78 3drd n ASN 26 Ca -0.02 -2.86 -0.39 0.00 -0.03 0.00 0.00 54.58 51.29 3drd n ASN 26 Cb 0.86 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 3drd n ASN 26 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3drd s PRO 27 N -1.66 3.74 -0.04 3.52 0.04 -0.06 -4.78 135.00 135.76 3drd s PRO 27 Ca 0.37 2.06 -0.01 0.00 0.04 0.00 0.00 61.00 63.47 3drd s PRO 27 Cb 0.22 -2.56 0.03 0.00 0.04 0.00 0.00 34.50 32.23 3drd s PRO 27 CO -0.10 -0.65 0.01 -1.17 0.04 0.00 0.00 177.00 175.13 3drd s LEU 28 N -2.82 0.79 -0.22 -3.56 2.96 -1.26 -5.11 118.68 109.46 3drd s LEU 28 Ca 0.62 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 54.49 3drd s LEU 28 Cb -0.36 -0.28 0.06 0.00 0.50 0.00 0.00 46.19 46.11 3drd s LEU 28 CO 0.45 -0.16 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.68 3drd s ILE 29 N 1.53 1.11 0.12 6.68 1.01 -1.26 -5.11 121.20 125.28 3drd s ILE 29 Ca -0.02 -0.98 -0.26 0.00 0.00 0.00 0.00 60.65 59.39 3drd s ILE 29 Cb -0.13 -1.50 -0.07 0.00 0.01 0.00 0.00 42.46 40.78 3drd s ILE 29 CO -0.03 -0.17 0.80 -0.63 0.00 0.00 0.00 174.94 174.91 3drd s ILE 30 N 1.58 4.51 -0.09 2.92 -1.09 -1.26 -1.16 121.20 126.61 3drd s ILE 30 Ca -0.03 1.74 0.06 0.00 -2.23 0.00 0.00 60.65 60.19 3drd s ILE 30 Cb -0.18 -4.16 -0.10 0.00 -1.58 0.00 0.00 42.46 36.44 3drd s ILE 30 CO -0.08 0.44 -0.01 1.21 -1.23 0.00 0.00 174.94 175.27 3drd n GLU 31 N 2.21 1.92 -3.86 2.79 2.13 0.55 -4.84 120.64 121.53 3drd n GLU 31 Ca -0.03 0.02 -0.07 0.00 0.66 0.00 0.00 57.16 57.73 3drd n GLU 31 Cb 0.49 -1.23 -0.02 0.00 0.27 0.00 0.00 31.44 30.96 3drd n GLU 31 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3drd s SER 32 N -4.37 -0.24 0.02 4.31 1.04 -1.11 -5.03 113.70 108.32 3drd s SER 32 Ca -0.07 -0.65 -0.17 0.00 0.48 0.00 0.00 55.95 55.53 3drd s SER 32 Cb 0.03 0.73 0.03 0.00 0.10 0.00 0.00 66.02 66.91 3drd s SER 32 CO 0.33 -1.37 0.38 -0.83 0.98 0.00 0.00 173.24 172.74 3drd s GLY 33 N -2.93 -0.23 -0.21 7.32 0.00 -1.26 -0.61 107.32 109.40 3drd s GLY 33 Ca 0.12 0.34 -0.09 0.00 0.00 0.00 0.00 44.72 45.09 3drd s GLY 33 CO 0.07 0.10 0.47 -0.51 0.00 0.00 0.00 173.10 173.23 3drd s THR 34 N -2.00 -0.45 0.00 0.90 -4.23 -0.35 -4.40 115.64 105.11 3drd s THR 34 Ca -0.08 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 3drd s THR 34 Cb -0.02 -0.72 0.00 0.00 1.34 0.00 0.00 72.50 73.10 3drd s THR 34 CO 0.01 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 3drd n GLY 35 N 4.98 2.47 1.02 3.99 0.00 -0.96 -2.51 105.19 114.17 3drd n GLY 35 Ca -0.14 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.48 3drd n GLY 35 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3drd n ILE 36 N 0.00 1.08 -4.65 -0.61 -5.35 -1.26 -0.09 119.36 108.48 3drd n ILE 36 Ca 0.00 -0.60 -0.30 0.00 -0.27 0.00 0.00 62.75 61.58 3drd n ILE 36 Cb 0.00 -0.26 -0.13 0.00 -1.74 0.00 0.00 39.64 37.51 3drd n ILE 36 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3drd s LYS 37 N -1.75 1.72 0.26 6.28 1.02 -1.05 -0.34 119.74 125.89 3drd s LYS 37 Ca 0.24 -1.17 0.10 0.00 0.02 0.00 0.00 55.97 55.17 3drd s LYS 37 Cb 0.17 -2.01 -0.05 0.00 -0.52 0.00 0.00 37.83 35.43 3drd s LYS 37 CO 0.09 0.50 -0.10 0.14 -0.92 0.00 0.00 175.35 175.06 3drd s VAL 38 N -0.94 3.01 -0.06 3.17 -7.23 -0.19 -1.21 120.40 116.95 3drd s VAL 38 Ca 0.14 -2.07 0.03 0.00 -1.81 0.00 0.00 61.98 58.26 3drd s VAL 38 Cb -0.10 -2.58 0.01 0.00 0.56 0.00 0.00 36.38 34.27 3drd s VAL 38 CO 0.05 -0.34 -0.15 -0.75 -0.31 0.00 0.00 175.10 173.60 3drd s LYS 39 N -3.47 1.82 0.64 4.82 2.20 0.22 0.03 119.74 126.01 3drd s LYS 39 Ca 0.30 -0.52 -0.08 0.00 -0.36 0.00 0.00 55.97 55.31 3drd s LYS 39 Cb -0.06 -1.51 0.14 0.00 -1.51 0.00 0.00 37.83 34.89 3drd s LYS 39 CO 0.17 0.12 0.87 -0.40 -0.36 0.00 0.00 175.35 175.76 3drd n ASP 40 N 3.51 0.40 0.00 1.43 5.68 -0.45 -0.33 116.55 126.78 3drd n ASP 40 Ca -0.20 -1.52 0.08 0.00 -0.50 0.00 0.00 54.79 52.64 3drd n ASP 40 Cb 0.52 -0.64 0.38 0.00 -1.14 0.00 0.00 41.12 40.25 3drd n ASP 40 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3drd n ILE 41 N -3.01 0.70 0.90 2.12 -5.35 -0.31 -1.99 119.36 112.42 3drd n ILE 41 Ca 0.12 0.18 0.11 0.00 -0.27 0.00 0.00 62.75 62.88 3drd n ILE 41 Cb 0.42 -0.90 0.07 0.00 -1.74 0.00 0.00 39.64 37.49 3drd n ILE 41 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3drd n ASN 42 N -1.39 2.65 0.00 7.28 5.03 -1.26 -4.91 115.26 122.67 3drd n ASN 42 Ca 0.06 -1.83 0.00 0.00 0.87 0.00 0.00 54.58 53.68 3drd n ASN 42 Cb 0.16 0.08 0.00 0.00 -1.02 0.00 0.00 39.78 38.99 3drd n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3drd n GLY 43 N 1.23 0.48 3.74 7.41 0.00 -0.84 -5.05 105.19 112.16 3drd n GLY 43 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3drd n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3drd s LYS 44 N -0.86 4.39 -0.00 1.61 2.20 -1.26 -4.77 119.74 121.05 3drd s LYS 44 Ca 0.00 2.07 -0.01 0.00 -0.36 0.00 0.00 55.97 57.67 3drd s LYS 44 Cb 0.00 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 3drd s LYS 44 CO 0.00 -0.23 0.11 -1.21 -0.36 0.00 0.00 175.35 173.66 3drd s GLU 45 N -0.38 3.17 -0.01 4.03 2.02 -1.26 -1.35 118.70 124.93 3drd s GLU 45 Ca 0.55 -0.45 0.03 0.00 0.02 0.00 0.00 54.97 55.12 3drd s GLU 45 Cb -0.37 -2.93 -0.01 0.00 0.10 0.00 0.00 34.13 30.93 3drd s GLU 45 CO 0.40 0.65 -0.09 0.71 0.02 0.00 0.00 175.26 176.95 3drd s TYR 46 N -1.25 0.81 0.16 1.61 1.51 0.10 -4.62 117.35 115.68 3drd s TYR 46 Ca 0.25 -0.15 -0.31 0.00 -1.01 0.00 0.00 57.07 55.85 3drd s TYR 46 Cb -0.12 -0.53 -0.08 0.00 -0.11 0.00 0.00 41.96 41.12 3drd s TYR 46 CO 0.16 -0.02 1.35 0.71 -1.11 0.00 0.00 175.55 176.65 3drd s TYR 47 N -0.20 3.24 -1.26 2.71 1.51 0.16 -1.02 117.35 122.49 3drd s TYR 47 Ca 0.03 1.08 -0.18 0.00 -1.01 0.00 0.00 57.07 57.00 3drd s TYR 47 Cb -0.04 -3.65 0.08 0.00 -0.11 0.00 0.00 41.96 38.25 3drd s TYR 47 CO -0.00 -2.15 1.67 0.34 -1.11 0.00 0.00 175.55 174.30 3drd s ASP 48 N 0.72 6.84 0.11 2.29 2.15 0.54 -0.66 116.67 128.66 3drd s ASP 48 Ca 0.61 -2.44 0.25 0.00 0.43 0.00 0.00 52.55 51.40 3drd s ASP 48 Cb -0.37 -2.56 0.95 0.00 -0.30 0.00 0.00 42.92 40.65 3drd s ASP 48 CO 0.34 -1.14 1.77 0.61 -0.17 0.00 0.00 175.17 176.58 3drd n GLY 49 N 5.35 -1.45 0.18 2.66 0.00 -0.32 -2.74 105.19 108.87 3drd n GLY 49 Ca 0.46 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.49 3drd n GLY 49 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3drd n PHE 50 N -1.87 0.14 -3.76 1.61 -0.00 -1.15 -1.79 117.46 110.64 3drd n PHE 50 Ca 0.05 -0.69 -0.25 0.00 -0.00 0.00 0.00 57.45 56.56 3drd n PHE 50 Cb 0.32 -0.10 0.04 0.00 -0.00 0.00 0.00 39.48 39.74 3drd n PHE 50 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3drd n SER 51 N -0.67 -3.40 -3.88 5.98 7.64 -1.05 0.10 113.62 118.33 3drd n SER 51 Ca 0.08 -0.75 -0.28 0.00 1.01 0.00 0.00 58.87 58.93 3drd n SER 51 Cb 0.45 -4.19 0.02 0.00 -1.01 0.00 0.00 64.21 59.49 3drd n SER 51 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3drd n SER 52 N -2.96 -3.69 -2.42 6.43 7.64 -1.26 -1.31 113.62 116.05 3drd n SER 52 Ca -0.12 -0.81 -0.05 0.00 1.01 0.00 0.00 58.87 58.90 3drd n SER 52 Cb 0.60 -3.85 0.02 0.00 -1.01 0.00 0.00 64.21 59.98 3drd n SER 52 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3drd n VAL 53 N -4.57 -5.72 -2.52 0.44 0.31 -0.45 -4.44 118.33 101.38 3drd n VAL 53 Ca -0.05 -0.52 -0.19 0.00 -0.01 0.00 0.00 64.34 63.57 3drd n VAL 53 Cb 0.57 -5.12 0.00 0.00 -0.91 0.00 0.00 33.84 28.39 3drd n VAL 53 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3drd n TRP 54 N -2.07 -1.13 0.00 3.52 8.01 0.28 -4.84 117.44 121.21 3drd n TRP 54 Ca -0.02 0.14 0.00 0.00 -1.31 0.00 0.00 57.50 56.31 3drd n TRP 54 Cb 0.54 -3.76 0.00 0.00 -2.01 0.00 0.00 31.31 26.08 3drd n TRP 54 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.69 178.15 3drd n LEU 55 N -2.92 0.00 -4.66 -0.99 -0.00 -0.54 -4.45 117.00 103.44 3drd n LEU 55 Ca -0.18 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.40 3drd n LEU 55 Cb 0.65 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.05 3drd n LEU 55 CO 0.30 0.00 1.02 0.21 -0.00 0.00 0.00 177.39 178.92 3drd s ASN 56 N -1.55 7.00 -0.17 1.45 3.84 -0.42 -2.59 114.94 122.50 3drd s ASN 56 Ca 0.00 1.56 -0.15 0.00 0.21 0.00 0.00 52.86 54.47 3drd s ASN 56 Cb 0.00 -2.54 -0.05 0.00 -0.55 0.00 0.00 41.25 38.11 3drd s ASN 56 CO 0.00 -0.73 -0.30 0.52 -2.79 0.00 0.00 177.10 173.80 3drd n VAL 57 N 5.37 1.46 -0.11 -5.21 0.31 -0.64 -4.12 118.33 115.39 3drd n VAL 57 Ca 0.13 0.17 0.11 0.00 -0.01 0.00 0.00 64.34 64.74 3drd n VAL 57 Cb 0.45 -2.35 0.29 0.00 -0.91 0.00 0.00 33.84 31.32 3drd n VAL 57 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3drd n HIS 58 N -4.48 0.87 -2.18 3.52 8.25 -1.26 -1.72 115.22 118.21 3drd n HIS 58 Ca -0.12 -0.43 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 3drd n HIS 58 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 3drd n HIS 58 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3drd n GLY 59 N 1.57 -2.08 3.93 -1.41 0.00 -1.26 -4.82 105.19 101.11 3drd n GLY 59 Ca 0.22 -1.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.29 3drd n GLY 59 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3drd s HIS 60 N -0.12 3.49 -1.26 1.61 3.76 0.87 -4.41 115.29 119.22 3drd s HIS 60 Ca 0.00 0.29 -0.18 0.00 -0.15 0.00 0.00 55.06 55.02 3drd s HIS 60 Cb 0.00 -1.81 0.01 0.00 1.11 0.00 0.00 32.58 31.89 3drd s HIS 60 CO 0.00 0.43 0.60 0.54 -0.85 0.00 0.00 174.74 175.46 3drd n ARG 61 N -0.56 -1.41 -2.71 1.40 1.74 -1.26 -2.28 116.66 111.58 3drd n ARG 61 Ca -0.05 0.30 -0.43 0.00 -0.77 0.00 0.00 57.85 56.91 3drd n ARG 61 Cb 0.54 -3.72 -0.03 0.00 -1.02 0.00 0.00 32.46 28.23 3drd n ARG 61 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3drd s LYS 62 N -6.65 4.30 0.14 5.56 2.47 -1.26 -4.80 119.74 119.51 3drd s LYS 62 Ca 0.33 1.30 -0.20 0.00 -1.56 0.00 0.00 55.97 55.84 3drd s LYS 62 Cb -0.14 -3.61 0.02 0.00 -1.46 0.00 0.00 37.83 32.64 3drd s LYS 62 CO 0.91 -0.51 1.67 -0.22 0.16 0.00 0.00 175.35 177.37 3drd h LYS 63 N 7.36 -0.09 -0.60 4.03 3.64 -1.98 -1.71 116.57 127.23 3drd h LYS 63 Ca -0.24 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.20 3drd h LYS 63 Cb 1.09 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 3drd h LYS 63 CO 0.92 -0.06 0.40 0.93 -2.27 0.00 0.00 179.45 179.37 3drd h GLU 64 N -0.09 0.61 0.09 1.90 3.07 -1.99 -0.59 114.58 117.58 3drd h GLU 64 Ca 0.13 -0.04 -0.27 0.00 -0.50 0.00 0.00 59.36 58.68 3drd h GLU 64 Cb 0.29 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 28.07 3drd h GLU 64 CO -0.30 0.40 -1.16 -0.07 -1.40 0.00 0.00 179.01 176.49 3drd h LEU 65 N 0.63 0.59 -0.34 1.33 4.07 -1.76 -1.66 115.31 118.18 3drd h LEU 65 Ca 0.25 -0.56 0.02 0.00 0.08 0.00 0.00 57.88 57.68 3drd h LEU 65 Cb 0.20 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.73 3drd h LEU 65 CO -0.07 1.39 0.17 0.44 -1.08 0.00 0.00 178.44 179.29 3drd h ASP 66 N 0.18 0.25 -0.09 -0.43 3.32 -0.95 -2.98 116.42 115.72 3drd h ASP 66 Ca -0.14 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.81 3drd h ASP 66 Cb 1.84 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 41.34 3drd h ASP 66 CO 0.20 0.19 -0.32 0.44 -1.72 0.00 0.00 179.24 178.03 3drd h ASP 67 N 0.35 0.59 -0.64 6.45 3.32 -1.07 -2.25 116.42 123.17 3drd h ASP 67 Ca 0.14 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 3drd h ASP 67 Cb 0.05 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 3drd h ASP 67 CO -0.10 0.88 0.23 0.00 -1.72 0.00 0.00 179.24 178.53 3drd h ALA 68 N 1.16 1.14 -0.12 3.45 0.00 -1.22 -0.79 119.26 122.88 3drd h ALA 68 Ca 0.06 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3drd h ALA 68 Cb 0.79 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3drd h ALA 68 CO 0.06 0.60 -0.28 0.82 0.00 0.00 0.00 179.25 180.45 3drd h ILE 69 N 0.98 1.38 -0.73 0.00 2.04 -1.36 -2.00 117.51 117.81 3drd h ILE 69 Ca 0.22 -1.58 0.06 0.00 1.00 0.00 0.00 64.86 64.56 3drd h ILE 69 Cb 0.25 2.09 -0.06 0.00 -0.74 0.00 0.00 36.82 38.36 3drd h ILE 69 CO -0.01 0.46 0.43 0.11 0.00 0.00 0.00 178.15 179.14 3drd h LYS 70 N -0.01 0.76 0.06 2.37 1.57 -1.33 0.17 116.57 120.16 3drd h LYS 70 Ca -0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3drd h LYS 70 Cb 0.89 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3drd h LYS 70 CO 0.06 0.50 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.20 3drd h LYS 71 N 0.79 -0.07 -0.50 3.15 3.64 -1.16 -2.81 116.57 119.61 3drd h LYS 71 Ca 0.32 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 3drd h LYS 71 Cb 0.18 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3drd h LYS 71 CO -0.18 -0.03 0.28 0.37 -2.27 0.00 0.00 179.45 177.63 3drd h GLN 72 N -0.09 0.68 -0.50 1.90 5.75 -0.91 0.07 115.11 122.01 3drd h GLN 72 Ca -0.01 -0.06 0.12 0.00 -0.15 0.00 0.00 58.65 58.55 3drd h GLN 72 Cb 0.08 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 3drd h GLN 72 CO 0.01 0.49 0.35 -0.07 -2.65 0.00 0.00 178.83 176.96 3drd h LEU 73 N 0.69 0.12 0.00 -2.39 3.38 -0.42 -0.58 115.31 116.11 3drd h LEU 73 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3drd h LEU 73 Cb 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3drd h LEU 73 CO -0.03 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.18 3drd n GLY 74 N -1.59 -0.78 1.05 0.83 0.00 0.01 -4.03 105.19 100.67 3drd n GLY 74 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3drd n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3drd n LYS 75 N -1.12 0.00 -3.65 1.61 5.02 -0.32 -5.12 118.16 114.58 3drd n LYS 75 Ca 0.13 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.43 3drd n LYS 75 Cb 0.11 -0.39 -0.06 0.00 -0.02 0.00 0.00 35.03 34.67 3drd n LYS 75 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3drd s ILE 76 N -1.79 0.00 -0.09 -0.18 2.07 -0.63 -5.08 121.20 115.50 3drd s ILE 76 Ca 0.00 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.06 3drd s ILE 76 Cb 0.00 -1.00 -0.14 0.00 0.13 0.00 0.00 42.46 41.45 3drd s ILE 76 CO 0.00 0.00 0.61 0.00 -1.91 0.00 0.00 174.94 173.64 3drd h ALA 77 N 5.36 -0.11 -2.98 1.50 0.00 -1.84 -3.43 119.26 117.76 3drd h ALA 77 Ca -0.27 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.20 3drd h ALA 77 Cb 1.17 0.04 -0.31 0.00 0.00 0.00 0.00 17.79 18.69 3drd h ALA 77 CO 0.22 -0.14 -0.50 -1.58 0.00 0.00 0.00 179.25 177.25 3drd s HIS 78 N -2.60 -0.35 0.05 0.00 5.65 -1.26 -2.99 115.29 113.80 3drd s HIS 78 Ca -0.11 0.83 0.01 0.00 0.25 0.00 0.00 55.06 56.05 3drd s HIS 78 Cb -0.01 0.02 -0.03 0.00 -1.18 0.00 0.00 32.58 31.39 3drd s HIS 78 CO 0.41 -0.27 -0.06 -1.54 -0.65 0.00 0.00 174.74 172.63 3drd s SER 79 N 1.58 0.77 0.67 9.88 1.04 -1.26 -5.03 113.70 121.34 3drd s SER 79 Ca -0.06 -0.68 -0.11 0.00 0.48 0.00 0.00 55.95 55.57 3drd s SER 79 Cb -0.11 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.08 3drd s SER 79 CO -0.09 -0.31 1.05 0.28 0.98 0.00 0.00 173.24 175.15 3drd s THR 80 N -2.11 4.16 -1.66 2.02 -1.32 -1.26 -4.82 115.64 110.65 3drd s THR 80 Ca -0.05 0.73 0.14 0.00 -1.21 0.00 0.00 61.69 61.30 3drd s THR 80 Cb -0.05 -3.50 0.17 0.00 -1.51 0.00 0.00 72.50 67.61 3drd s THR 80 CO -0.02 -0.89 1.03 0.18 -2.21 0.00 0.00 174.62 172.70 3drd n LEU 81 N -2.95 2.39 -4.55 9.08 4.32 -1.26 -4.15 117.00 119.88 3drd n LEU 81 Ca 0.07 -1.20 -0.38 0.00 -0.02 0.00 0.00 56.01 54.48 3drd n LEU 81 Cb 0.54 -0.06 -0.03 0.00 -1.62 0.00 0.00 43.42 42.25 3drd n LEU 81 CO 0.55 0.48 1.53 -0.76 -1.22 0.00 0.00 177.39 177.97 3drd s LEU 82 N -1.15 3.27 0.00 2.23 1.43 -1.26 -3.48 118.68 119.72 3drd s LEU 82 Ca 0.19 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 3drd s LEU 82 Cb 0.13 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.81 3drd s LEU 82 CO 0.18 -2.31 0.00 0.61 0.23 0.00 0.00 176.35 175.07 3drd n GLY 83 N 5.71 0.77 3.86 -3.19 0.00 -1.26 -4.95 105.19 106.12 3drd n GLY 83 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 3drd n GLY 83 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3drd s MET 84 N -0.30 1.64 0.01 1.61 0.23 -1.23 -5.20 119.30 116.07 3drd s MET 84 Ca 0.00 -1.06 0.00 0.00 -1.03 0.00 0.00 55.69 53.60 3drd s MET 84 Cb 0.00 0.46 -0.00 0.00 -1.53 0.00 0.00 34.83 33.76 3drd s MET 84 CO 0.00 -0.77 0.01 -2.37 -2.03 0.00 0.00 175.02 169.86 3drd n THR 85 N -0.65 0.00 -4.19 3.16 5.66 -1.26 -4.10 114.28 112.89 3drd n THR 85 Ca -0.05 -0.07 -0.12 0.00 -3.05 0.00 0.00 64.05 60.76 3drd n THR 85 Cb 0.60 0.04 -0.10 0.00 -1.55 0.00 0.00 70.33 69.31 3drd n THR 85 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3drd s ASN 86 N -1.07 0.23 0.01 1.09 4.22 -1.26 -4.93 114.94 113.23 3drd s ASN 86 Ca 0.01 -1.39 -0.25 0.00 -2.14 0.00 0.00 52.86 49.09 3drd s ASN 86 Cb 0.00 0.40 -0.16 0.00 1.28 0.00 0.00 41.25 42.77 3drd s ASN 86 CO 0.01 -0.87 1.25 0.58 -2.04 0.00 0.00 177.10 176.03 3drd h VAL 87 N 2.57 0.66 -0.73 3.54 2.07 -1.99 -2.20 116.25 120.18 3drd h VAL 87 Ca -0.35 -0.56 0.09 0.00 0.82 0.00 0.00 66.70 66.71 3drd h VAL 87 Cb 1.25 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 31.89 3drd h VAL 87 CO 0.51 0.11 0.38 -0.65 0.02 0.00 0.00 177.57 177.93 3drd h PRO 88 N -0.76 0.62 -0.38 1.57 0.11 -1.95 0.15 132.00 131.36 3drd h PRO 88 Ca -0.04 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.93 3drd h PRO 88 Cb 0.51 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 3drd h PRO 88 CO 0.07 0.41 -0.18 0.00 -0.21 0.00 0.00 178.00 178.10 3drd h ALA 89 N 1.43 0.98 -0.32 -0.75 0.00 -1.81 0.02 119.26 118.81 3drd h ALA 89 Ca 0.36 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3drd h ALA 89 Cb 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3drd h ALA 89 CO -0.26 0.60 -0.08 1.15 0.00 0.00 0.00 179.25 180.65 3drd h THR 90 N 0.63 1.28 -0.37 0.00 2.02 -0.88 -2.33 112.91 113.27 3drd h THR 90 Ca 0.10 -1.14 -0.07 0.00 0.77 0.00 0.00 66.41 66.08 3drd h THR 90 Cb 0.65 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 3drd h THR 90 CO 0.05 0.37 -0.03 1.56 0.37 0.00 0.00 175.52 177.84 3drd h GLN 91 N 0.40 0.67 -0.72 6.66 4.20 -0.54 -3.01 115.11 122.77 3drd h GLN 91 Ca 0.08 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 3drd h GLN 91 Cb 0.58 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 3drd h GLN 91 CO 0.03 0.79 0.39 1.25 -0.67 0.00 0.00 178.83 180.62 3drd h LEU 92 N 0.48 0.90 -0.36 1.46 5.85 -1.04 -2.69 115.31 119.90 3drd h LEU 92 Ca 0.10 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.75 3drd h LEU 92 Cb 0.51 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3drd h LEU 92 CO 0.02 0.74 0.16 0.00 -0.34 0.00 0.00 178.44 179.02 3drd h ALA 93 N 1.20 0.43 -0.41 1.25 0.00 -1.35 0.23 119.26 120.61 3drd h ALA 93 Ca 0.25 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.26 3drd h ALA 93 Cb 0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3drd h ALA 93 CO -0.04 -0.22 0.02 1.49 0.00 0.00 0.00 179.25 180.51 3drd h GLU 94 N 0.34 0.13 -0.79 0.00 4.81 -1.35 -1.70 114.58 116.02 3drd h GLU 94 Ca 0.15 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3drd h GLU 94 Cb 0.09 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 3drd h GLU 94 CO -0.13 0.09 0.49 1.15 -0.73 0.00 0.00 179.01 179.89 3drd h THR 95 N 0.14 1.21 -0.20 0.32 2.02 -1.11 -2.08 112.91 113.21 3drd h THR 95 Ca 0.20 -0.44 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 3drd h THR 95 Cb 0.28 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3drd h THR 95 CO -0.32 0.22 -0.19 -0.07 0.37 0.00 0.00 175.52 175.53 3drd h LEU 96 N 1.07 0.35 -0.69 2.58 3.38 -0.59 -2.31 115.31 119.11 3drd h LEU 96 Ca 0.28 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 3drd h LEU 96 Cb -0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3drd h LEU 96 CO -0.06 0.56 -0.31 0.40 0.09 0.00 0.00 178.44 179.12 3drd h ILE 97 N 0.33 1.28 -0.31 1.22 1.08 -0.95 -1.81 117.51 118.35 3drd h ILE 97 Ca 0.06 -1.44 -0.05 0.00 -0.39 0.00 0.00 64.86 63.04 3drd h ILE 97 Cb 0.53 1.38 -0.02 0.00 -3.07 0.00 0.00 36.82 35.64 3drd h ILE 97 CO 0.03 0.47 -0.01 0.44 -0.69 0.00 0.00 178.15 178.39 3drd h ASP 98 N 0.57 0.44 -0.01 1.72 3.45 -0.83 -3.20 116.42 118.57 3drd h ASP 98 Ca 0.07 -0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.45 3drd h ASP 98 Cb 0.81 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.47 3drd h ASP 98 CO 0.07 0.52 -0.56 2.30 -1.57 0.00 0.00 179.24 180.00 3drd n ILE 99 N -4.29 0.00 -3.09 0.35 -5.35 -1.04 -4.97 119.36 100.97 3drd n ILE 99 Ca 0.01 -0.22 -0.23 0.00 -0.27 0.00 0.00 62.75 62.04 3drd n ILE 99 Cb 0.24 1.12 0.01 0.00 -1.74 0.00 0.00 39.64 39.27 3drd n ILE 99 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3drd s SER 100 N -2.30 5.95 0.20 7.28 1.04 -0.69 -4.81 113.70 120.37 3drd s SER 100 Ca 0.11 0.30 -0.30 0.00 0.48 0.00 0.00 55.95 56.54 3drd s SER 100 Cb 0.14 -1.63 -0.16 0.00 0.10 0.00 0.00 66.02 64.47 3drd s SER 100 CO 0.56 -0.60 0.85 -2.65 0.98 0.00 0.00 173.24 172.38 3drd n PRO 101 N -1.99 0.65 -0.30 4.02 -0.02 -1.26 -4.86 135.00 131.23 3drd n PRO 101 Ca -0.00 0.23 0.05 0.00 -2.02 0.00 0.00 63.50 61.76 3drd n PRO 101 Cb 0.57 -1.49 0.13 0.00 -0.02 0.00 0.00 33.50 32.69 3drd n PRO 101 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3drd n LYS 102 N 1.11 -0.08 0.15 -0.52 4.81 -1.26 -1.53 118.16 120.85 3drd n LYS 102 Ca 0.15 1.32 0.13 0.00 -0.87 0.00 0.00 58.31 59.04 3drd n LYS 102 Cb 0.26 -1.98 0.46 0.00 0.02 0.00 0.00 35.03 33.78 3drd n LYS 102 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3drd h LYS 103 N 0.00 0.00 -5.87 1.64 1.57 -1.91 -3.43 116.57 108.58 3drd h LYS 103 Ca 0.41 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.61 3drd h LYS 103 Cb 0.64 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.88 3drd h LYS 103 CO -0.87 0.00 0.28 -0.51 -0.57 0.00 0.00 179.45 177.78 3drd s LEU 104 N -4.94 4.18 0.00 2.94 1.43 -0.58 -4.20 118.68 117.51 3drd s LEU 104 Ca 0.06 1.07 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 3drd s LEU 104 Cb 0.10 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 43.21 3drd s LEU 104 CO 0.52 -0.33 0.23 0.35 0.23 0.00 0.00 176.35 177.34 3drd n THR 105 N 4.62 0.00 -4.78 5.49 -2.24 -0.01 -4.87 114.28 112.49 3drd n THR 105 Ca 0.02 -0.26 -0.25 0.00 -2.27 0.00 0.00 64.05 61.30 3drd n THR 105 Cb 0.49 1.43 -0.16 0.00 -2.10 0.00 0.00 70.33 69.99 3drd n THR 105 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3drd s ARG 106 N -0.06 1.46 -0.24 -0.78 3.00 -0.71 -4.98 118.95 116.64 3drd s ARG 106 Ca 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 55.73 55.17 3drd s ARG 106 Cb 0.00 -1.36 0.05 0.00 0.00 0.00 0.00 34.95 33.64 3drd s ARG 106 CO 0.00 0.31 -0.13 0.08 0.00 0.00 0.00 175.30 175.56 3drd s VAL 107 N -0.23 2.22 -0.21 3.52 1.01 -1.26 -1.87 120.40 123.58 3drd s VAL 107 Ca 0.03 -1.39 -0.05 0.00 0.00 0.00 0.00 61.98 60.57 3drd s VAL 107 Cb -0.08 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 3drd s VAL 107 CO 0.00 0.15 0.01 0.12 0.00 0.00 0.00 175.10 175.38 3drd s PHE 108 N 1.18 3.05 0.16 5.22 2.19 -0.50 -4.98 117.98 124.29 3drd s PHE 108 Ca -0.04 -0.47 -0.12 0.00 0.33 0.00 0.00 56.93 56.63 3drd s PHE 108 Cb -0.18 -2.11 -0.07 0.00 -1.31 0.00 0.00 43.02 39.35 3drd s PHE 108 CO -0.07 -0.27 0.52 0.71 1.83 0.00 0.00 175.22 177.94 3drd s TYR 109 N 1.13 3.55 0.00 10.12 1.51 -1.26 0.17 117.35 132.57 3drd s TYR 109 Ca 0.03 0.95 0.00 0.00 -1.01 0.00 0.00 57.07 57.04 3drd s TYR 109 Cb -0.14 -2.30 0.00 0.00 -0.11 0.00 0.00 41.96 39.41 3drd s TYR 109 CO 0.02 0.40 0.00 -1.13 -1.11 0.00 0.00 175.55 173.73 3drd n SER 110 N 0.56 0.00 -0.07 2.29 3.41 -0.38 -4.77 113.62 114.66 3drd n SER 110 Ca -0.04 -0.10 -0.07 0.00 -0.26 0.00 0.00 58.87 58.39 3drd n SER 110 Cb 0.52 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 3drd n SER 110 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3drd n ASP 111 N -0.25 1.77 -4.01 4.04 8.00 -1.26 -1.52 116.55 123.32 3drd n ASP 111 Ca 0.00 -0.01 -0.08 0.00 0.71 0.00 0.00 54.79 55.41 3drd n ASP 111 Cb 0.00 0.71 -0.10 0.00 -0.02 0.00 0.00 41.12 41.72 3drd n ASP 111 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3drd s SER 112 N -4.78 0.34 0.36 -2.24 1.04 -1.26 -4.16 113.70 103.00 3drd s SER 112 Ca -0.09 -0.79 0.03 0.00 0.48 0.00 0.00 55.95 55.58 3drd s SER 112 Cb 0.04 0.21 0.67 0.00 0.10 0.00 0.00 66.02 67.04 3drd s SER 112 CO 0.54 -0.56 2.01 1.23 0.98 0.00 0.00 173.24 177.44 3drd h GLY 113 N 3.38 0.84 1.00 7.32 0.00 -1.90 0.86 103.07 114.56 3drd h GLY 113 Ca -0.33 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 3drd h GLY 113 CO 0.58 0.31 0.34 0.00 0.00 0.00 0.00 176.54 177.78 3drd h ALA 114 N 1.62 0.83 -0.29 3.60 0.00 -1.96 -2.05 119.26 121.01 3drd h ALA 114 Ca 0.22 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3drd h ALA 114 Cb -0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3drd h ALA 114 CO -0.05 0.35 -0.31 1.49 0.00 0.00 0.00 179.25 180.74 3drd h GLU 115 N 0.88 0.60 -1.01 0.00 4.81 -1.50 -2.31 114.58 116.05 3drd h GLU 115 Ca 0.23 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3drd h GLU 115 Cb 0.06 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 3drd h GLU 115 CO -0.03 0.83 0.67 0.00 -0.73 0.00 0.00 179.01 179.74 3drd h ALA 116 N 1.16 1.30 -0.28 2.92 0.00 -0.56 -1.06 119.26 122.73 3drd h ALA 116 Ca 0.06 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3drd h ALA 116 Cb 0.78 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3drd h ALA 116 CO 0.06 0.64 -0.46 0.52 0.00 0.00 0.00 179.25 180.02 3drd h MET 117 N 1.34 0.72 -0.37 0.00 2.86 -1.22 -2.00 114.93 116.25 3drd h MET 117 Ca 0.38 -0.40 -0.13 0.00 -2.06 0.00 0.00 59.70 57.48 3drd h MET 117 Cb -0.12 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3drd h MET 117 CO -0.09 1.02 -0.30 0.93 1.06 0.00 0.00 176.91 179.53 3drd h GLU 118 N 0.57 0.81 -0.92 1.72 4.39 -1.00 -2.56 114.58 117.60 3drd h GLU 118 Ca 0.03 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.35 3drd h GLU 118 Cb 1.01 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.60 3drd h GLU 118 CO 0.10 1.00 0.54 0.82 -1.16 0.00 0.00 179.01 180.31 3drd h ILE 119 N 0.69 1.25 -0.85 3.13 2.04 -1.19 -1.50 117.51 121.08 3drd h ILE 119 Ca 0.08 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 3drd h ILE 119 Cb 0.84 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3drd h ILE 119 CO 0.07 0.27 0.45 0.00 0.00 0.00 0.00 178.15 178.95 3drd h ALA 120 N 1.33 1.10 -0.41 1.87 0.00 -1.00 0.24 119.26 122.39 3drd h ALA 120 Ca 0.33 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 3drd h ALA 120 Cb -0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3drd h ALA 120 CO -0.06 0.62 -0.26 -0.07 0.00 0.00 0.00 179.25 179.47 3drd h LEU 121 N 1.20 0.93 -0.56 0.00 3.38 -1.17 -1.75 115.31 117.34 3drd h LEU 121 Ca 0.30 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3drd h LEU 121 Cb 0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3drd h LEU 121 CO -0.05 1.16 0.36 0.11 0.09 0.00 0.00 178.44 180.11 3drd h LYS 122 N 0.71 0.75 -0.45 1.13 1.57 -0.80 0.16 116.57 119.63 3drd h LYS 122 Ca 0.08 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 3drd h LYS 122 Cb 0.84 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.93 3drd h LYS 122 CO 0.07 0.51 0.15 0.52 -0.57 0.00 0.00 179.45 180.13 3drd h MET 123 N 0.76 0.30 0.12 3.15 2.86 -0.39 -0.60 114.93 121.13 3drd h MET 123 Ca 0.20 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 3drd h MET 123 Cb -0.06 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.54 3drd h MET 123 CO -0.04 0.20 -0.06 0.00 1.06 0.00 0.00 176.91 178.07 3drd h ALA 124 N 1.31 -0.16 -0.61 6.32 0.00 -1.08 0.14 119.26 125.17 3drd h ALA 124 Ca 0.21 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3drd h ALA 124 Cb 0.23 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3drd h ALA 124 CO -0.23 -0.46 0.33 0.35 0.00 0.00 0.00 179.25 179.24 3drd h PHE 125 N -0.43 0.61 0.00 0.00 3.57 -0.92 -2.84 116.94 116.94 3drd h PHE 125 Ca -0.02 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.38 3drd h PHE 125 Cb 0.34 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3drd h PHE 125 CO 0.01 0.29 -0.64 0.37 -2.23 0.00 0.00 178.31 176.11 3drd h GLN 126 N 0.62 0.00 -0.25 1.11 4.15 -1.08 -3.15 115.11 116.52 3drd h GLN 126 Ca 0.27 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.75 3drd h GLN 126 Cb 0.17 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.81 3drd h GLN 126 CO -0.18 0.60 -0.08 -0.92 -1.93 0.00 0.00 178.83 176.33 3drd h TYR 127 N 0.00 -0.18 -0.23 3.99 3.20 -0.47 -0.23 116.97 123.05 3drd h TYR 127 Ca -0.01 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.75 3drd h TYR 127 Cb 1.48 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.86 3drd h TYR 127 CO 0.00 -0.13 -0.41 -1.49 -1.64 0.00 0.00 178.16 174.49 3drd h TRP 128 N -0.03 0.64 -0.24 -3.82 4.06 -1.56 -2.60 115.95 112.40 3drd h TRP 128 Ca 0.12 -0.19 -0.01 0.00 2.06 0.00 0.00 58.89 60.88 3drd h TRP 128 Cb 0.22 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.23 3drd h TRP 128 CO -0.27 0.87 0.11 -0.22 -3.56 0.00 0.00 178.44 175.37 3drd h LYS 129 N 0.44 0.35 0.00 0.49 3.11 -1.47 0.51 116.57 120.00 3drd h LYS 129 Ca 0.04 -0.05 -0.03 0.00 -2.81 0.00 0.00 60.65 57.79 3drd h LYS 129 Cb 0.91 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 32.07 3drd h LYS 129 CO 0.08 0.36 -0.16 -0.91 -2.81 0.00 0.00 179.45 176.01 3drd h ASN 130 N 0.26 0.00 -0.59 4.20 4.21 -0.69 -1.82 115.58 121.14 3drd h ASN 130 Ca 0.08 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.59 3drd h ASN 130 Cb 0.12 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 3drd h ASN 130 CO -0.01 0.16 0.00 2.30 -1.29 0.00 0.00 177.43 178.59 3drd n ILE 131 N -4.09 1.83 -1.74 2.81 -5.35 -1.01 -4.95 119.36 106.86 3drd n ILE 131 Ca -0.02 -1.25 0.00 0.00 -0.27 0.00 0.00 62.75 61.21 3drd n ILE 131 Cb 0.24 0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 3drd n ILE 131 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3drd n GLY 132 N 0.94 0.76 2.54 3.28 0.00 -0.68 -5.01 105.19 107.01 3drd n GLY 132 Ca 0.24 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 3drd n GLY 132 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3drd n LYS 133 N -0.83 2.05 0.27 1.61 5.02 0.18 -4.93 118.16 121.52 3drd n LYS 133 Ca 0.00 -4.09 0.18 0.00 -2.02 0.00 0.00 58.31 52.38 3drd n LYS 133 Cb 0.41 -1.95 0.92 0.00 -0.02 0.00 0.00 35.03 34.38 3drd n LYS 133 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3drd h PRO 134 N 3.06 0.00 0.00 1.97 0.11 -1.83 -1.17 132.00 134.15 3drd h PRO 134 Ca 0.12 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 3drd h PRO 134 Cb 0.74 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 3drd h PRO 134 CO 0.66 0.00 -0.11 1.05 -0.21 0.00 0.00 178.00 179.38 3drd h GLU 135 N 0.00 0.00 -5.51 1.05 9.09 -1.91 -3.36 114.58 113.94 3drd h GLU 135 Ca 0.00 0.00 -0.68 0.00 0.05 0.00 0.00 59.36 58.73 3drd h GLU 135 Cb 0.14 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 27.12 3drd h GLU 135 CO 0.00 0.11 1.68 0.15 0.05 0.00 0.00 179.01 181.01 3drd s LYS 136 N -4.10 3.90 0.00 1.06 1.02 -0.44 -4.31 119.74 116.86 3drd s LYS 136 Ca -0.02 -1.96 0.00 0.00 0.02 0.00 0.00 55.97 54.00 3drd s LYS 136 Cb 0.13 -5.30 0.00 0.00 -0.52 0.00 0.00 37.83 32.13 3drd s LYS 136 CO 0.58 -2.06 0.27 0.00 -0.92 0.00 0.00 175.35 173.22 3drd n GLN 137 N 7.53 0.04 -3.75 1.68 10.64 -0.87 -4.12 117.38 128.53 3drd n GLN 137 Ca 0.40 -0.31 -0.21 0.00 -1.83 0.00 0.00 57.00 55.05 3drd n GLN 137 Cb 0.46 -0.63 -0.03 0.00 -0.86 0.00 0.00 30.24 29.19 3drd n GLN 137 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 3drd s LYS 138 N -0.07 2.72 0.07 2.61 1.02 0.80 -4.78 119.74 122.11 3drd s LYS 138 Ca 0.00 -1.31 0.06 0.00 0.02 0.00 0.00 55.97 54.74 3drd s LYS 138 Cb 0.00 -2.49 -0.03 0.00 -0.52 0.00 0.00 37.83 34.79 3drd s LYS 138 CO 0.00 0.05 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.25 3drd s PHE 139 N -2.32 1.42 -0.31 3.18 0.40 -1.26 0.50 117.98 119.59 3drd s PHE 139 Ca 0.42 -0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 56.22 3drd s PHE 139 Cb -0.06 -0.80 -0.03 0.00 0.51 0.00 0.00 43.02 42.64 3drd s PHE 139 CO 0.27 0.10 0.21 0.42 0.70 0.00 0.00 175.22 176.92 3drd s ILE 140 N -1.12 5.23 -0.12 0.64 1.01 -0.24 -0.09 121.20 126.50 3drd s ILE 140 Ca 0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.54 3drd s ILE 140 Cb -0.09 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 3drd s ILE 140 CO 0.03 0.11 0.07 0.00 0.00 0.00 0.00 174.94 175.14 3drd s ALA 141 N 1.73 3.53 -0.21 9.38 0.00 0.10 -1.29 121.76 135.00 3drd s ALA 141 Ca 0.06 -0.73 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 3drd s ALA 141 Cb -0.17 -1.77 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 3drd s ALA 141 CO 0.10 0.49 0.18 -1.64 0.00 0.00 0.00 175.76 174.90 3drd s MET 142 N -0.61 4.15 0.17 0.00 1.00 -1.19 -3.16 119.30 119.66 3drd s MET 142 Ca 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 55.69 55.63 3drd s MET 142 Cb -0.12 -3.48 0.00 0.00 0.00 0.00 0.00 34.83 31.23 3drd s MET 142 CO 0.02 0.16 0.00 0.36 0.00 0.00 0.00 175.02 175.57 3drd n LYS 143 N 3.93 0.00 -0.93 2.03 0.00 -0.33 -4.89 118.16 117.96 3drd n LYS 143 Ca -0.14 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.25 3drd n LYS 143 Cb 0.52 -0.15 -0.04 0.00 -0.00 0.00 0.00 35.03 35.36 3drd n LYS 143 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3drd n SER 173 N -3.26 -3.66 -4.82 -5.58 3.41 -1.26 -3.60 113.62 94.84 3drd n SER 173 Ca 0.00 0.60 -0.23 0.00 -0.26 0.00 0.00 58.87 58.98 3drd n SER 173 Cb 0.00 -3.05 -0.05 0.00 -0.26 0.00 0.00 64.21 60.86 3drd n SER 173 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3drd s TYR 174 N -4.20 3.13 -0.08 7.33 1.51 0.87 -4.98 117.35 120.94 3drd s TYR 174 Ca 0.00 -0.08 0.01 0.00 -1.01 0.00 0.00 57.07 55.98 3drd s TYR 174 Cb 0.00 -1.43 0.02 0.00 -0.11 0.00 0.00 41.96 40.44 3drd s TYR 174 CO 0.00 0.52 -0.08 0.15 -1.11 0.00 0.00 175.55 175.03 3drd s LYS 175 N -3.65 1.35 0.13 -0.62 -0.14 -1.26 -0.72 119.74 114.84 3drd s LYS 175 Ca 0.32 -0.24 0.08 0.00 -1.36 0.00 0.00 55.97 54.78 3drd s LYS 175 Cb -0.08 -1.32 -0.04 0.00 -1.68 0.00 0.00 37.83 34.71 3drd s LYS 175 CO 0.25 -0.14 -0.19 0.00 -0.76 0.00 0.00 175.35 174.50 3drd s ALA 176 N 1.26 1.86 0.11 5.17 0.00 -1.19 -5.01 121.76 123.96 3drd s ALA 176 Ca -0.04 -1.36 -0.22 0.00 0.00 0.00 0.00 51.96 50.34 3drd s ALA 176 Cb -0.14 -0.20 -0.07 0.00 0.00 0.00 0.00 23.12 22.71 3drd s ALA 176 CO -0.03 0.27 0.67 -1.25 0.00 0.00 0.00 175.76 175.43 3drd s PRO 177 N -2.39 4.38 0.01 0.00 0.04 -1.26 -1.19 135.00 134.58 3drd s PRO 177 Ca 0.11 0.94 -0.10 0.00 0.04 0.00 0.00 61.00 61.99 3drd s PRO 177 Cb -0.08 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.16 3drd s PRO 177 CO 0.05 0.59 0.32 0.42 0.04 0.00 0.00 177.00 178.43 3drd s ILE 178 N -1.08 5.21 0.21 0.56 1.01 -1.24 -4.79 121.20 121.08 3drd s ILE 178 Ca 0.32 0.42 -0.31 0.00 0.00 0.00 0.00 60.65 61.09 3drd s ILE 178 Cb -0.21 -3.60 -0.10 0.00 0.01 0.00 0.00 42.46 38.56 3drd s ILE 178 CO 0.22 0.44 1.53 -2.84 0.00 0.00 0.00 174.94 174.29 3drd s PRO 179 N -1.52 4.22 -0.57 2.79 0.02 -1.26 -4.97 135.00 133.71 3drd s PRO 179 Ca 0.26 2.36 0.04 0.00 0.02 0.00 0.00 61.00 63.69 3drd s PRO 179 Cb -0.14 -3.12 0.15 0.00 0.02 0.00 0.00 34.50 31.41 3drd s PRO 179 CO 0.14 -0.55 0.36 -0.47 -0.33 0.00 0.00 177.00 176.16 3drd s TYR 180 N 0.63 2.90 0.28 6.54 5.04 -1.26 -4.86 117.35 126.61 3drd s TYR 180 Ca 0.66 -3.02 -0.01 0.00 -2.44 0.00 0.00 57.07 52.26 3drd s TYR 180 Cb -0.44 -2.40 0.39 0.00 0.35 0.00 0.00 41.96 39.87 3drd s TYR 180 CO 0.37 -0.67 1.82 0.28 -1.34 0.00 0.00 175.55 176.00 3drd h VAL 181 N 4.89 1.23 -0.74 3.14 2.07 -1.94 -2.37 116.25 122.54 3drd h VAL 181 Ca 0.06 -0.84 0.05 0.00 0.82 0.00 0.00 66.70 66.79 3drd h VAL 181 Cb 0.84 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 3drd h VAL 181 CO 0.63 0.31 0.45 0.22 0.02 0.00 0.00 177.57 179.20 3drd h TYR 182 N 0.79 0.83 -0.36 1.57 -0.00 -1.94 -2.29 116.97 115.58 3drd h TYR 182 Ca 0.17 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.93 3drd h TYR 182 Cb 0.31 -0.27 0.00 0.00 -0.00 0.00 0.00 36.73 36.78 3drd h TYR 182 CO 0.02 0.44 0.00 0.54 -0.00 0.00 0.00 178.16 179.16 3drd n ARG 183 N -4.68 3.38 -3.66 1.82 3.00 -0.91 -4.94 116.66 110.67 3drd n ARG 183 Ca 0.09 -1.93 -0.24 0.00 -0.01 0.00 0.00 57.85 55.76 3drd n ARG 183 Cb 0.13 -1.96 -0.02 0.00 0.00 0.00 0.00 32.46 30.61 3drd n ARG 183 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3drd s SER 184 N -0.49 6.33 0.39 0.55 1.04 -0.86 -5.02 113.70 115.65 3drd s SER 184 Ca 0.33 0.31 0.22 0.00 0.48 0.00 0.00 55.95 57.29 3drd s SER 184 Cb 0.25 -1.97 0.26 0.00 0.10 0.00 0.00 66.02 64.67 3drd s SER 184 CO 0.10 -0.15 1.53 1.05 0.98 0.00 0.00 173.24 176.75 3drd h GLU 185 N 1.26 0.00 0.07 4.02 4.11 -1.92 -3.27 114.58 118.85 3drd h GLU 185 Ca -0.50 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 58.62 3drd h GLU 185 Cb 1.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 3drd h GLU 185 CO 0.63 0.08 -1.72 0.66 0.07 0.00 0.00 179.01 178.74 3drd h SER 186 N 0.00 0.24 -0.05 3.06 4.64 -1.95 -3.47 113.55 116.02 3drd h SER 186 Ca -0.00 -0.45 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 3drd h SER 186 Cb 1.07 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 3drd h SER 186 CO 0.01 1.39 -0.02 0.61 -0.87 0.00 0.00 176.83 177.95 3drd n GLY 187 N 1.71 0.31 3.52 -0.77 0.00 -1.24 -4.99 105.19 103.74 3drd n GLY 187 Ca -0.21 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 3drd n GLY 187 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3drd s ASP 188 N -2.08 5.54 0.23 1.61 3.68 -1.26 -4.95 116.67 119.44 3drd s ASP 188 Ca 0.00 -0.10 -0.06 0.00 2.13 0.00 0.00 52.55 54.53 3drd s ASP 188 Cb 0.00 -2.01 0.39 0.00 -1.45 0.00 0.00 42.92 39.85 3drd s ASP 188 CO 0.00 -0.02 1.75 -0.65 0.13 0.00 0.00 175.17 176.39 3drd h PRO 189 N 8.12 0.49 -0.16 4.34 0.11 -1.94 -1.48 132.00 141.48 3drd h PRO 189 Ca -0.37 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.64 3drd h PRO 189 Cb 1.18 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3drd h PRO 189 CO 0.58 0.33 -0.17 -0.44 -0.21 0.00 0.00 178.00 178.09 3drd h ASP 190 N 0.51 0.42 -0.55 -2.05 3.45 -1.94 0.08 116.42 116.34 3drd h ASP 190 Ca 0.38 -0.49 0.05 0.00 0.43 0.00 0.00 57.03 57.40 3drd h ASP 190 Cb 0.49 -0.12 -0.05 0.00 -0.56 0.00 0.00 39.33 39.10 3drd h ASP 190 CO -0.34 0.82 0.28 -0.33 -1.57 0.00 0.00 179.24 178.11 3drd h GLU 191 N 0.02 0.53 -0.30 3.56 5.08 -1.98 0.13 114.58 121.63 3drd h GLU 191 Ca 0.02 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3drd h GLU 191 Cb 0.71 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3drd h GLU 191 CO 0.04 0.35 0.08 0.00 -1.00 0.00 0.00 179.01 178.48 3drd h ARG 193 N 0.33 -0.12 -0.07 0.00 2.43 -0.80 -1.80 114.38 114.34 3drd h ARG 193 Ca 0.10 0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.11 3drd h ARG 193 Cb 0.29 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3drd h ARG 193 CO 0.00 -0.08 -0.68 -0.44 -1.51 0.00 0.00 179.97 177.26 3drd h ASP 194 N -0.13 0.38 0.09 -3.80 3.32 -0.68 -0.93 116.42 114.66 3drd h ASP 194 Ca 0.15 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 3drd h ASP 194 Cb 0.35 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3drd h ASP 194 CO -0.35 0.95 -0.04 -0.61 -1.72 0.00 0.00 179.24 177.46 3drd h GLN 195 N 0.23 -0.11 -0.17 3.56 5.75 -1.19 -1.21 115.11 121.96 3drd h GLN 195 Ca -0.02 0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 3drd h GLN 195 Cb 1.23 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.80 3drd h GLN 195 CO 0.11 0.04 -0.18 0.00 -2.65 0.00 0.00 178.83 176.16 3drd h LEU 197 N 0.26 0.95 -0.89 0.00 3.38 -1.10 -1.92 115.31 115.99 3drd h LEU 197 Ca 0.05 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 3drd h LEU 197 Cb 0.47 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3drd h LEU 197 CO 0.03 1.15 -0.22 0.08 0.09 0.00 0.00 178.44 179.57 3drd h ARG 198 N 0.75 0.00 -0.33 1.13 0.11 -0.85 0.12 114.38 115.31 3drd h ARG 198 Ca 0.09 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.08 3drd h ARG 198 Cb 0.80 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.88 3drd h ARG 198 CO 0.07 0.22 -0.17 0.93 0.10 0.00 0.00 179.97 181.12 3drd h GLU 199 N 0.00 0.70 0.02 0.08 5.08 -1.23 -0.85 114.58 118.37 3drd h GLU 199 Ca -0.00 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.06 3drd h GLU 199 Cb 0.84 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3drd h GLU 199 CO 0.03 0.91 -0.08 1.25 -1.00 0.00 0.00 179.01 180.12 3drd h LEU 200 N 0.47 -0.23 -0.53 1.33 5.85 -1.14 -1.49 115.31 119.57 3drd h LEU 200 Ca 0.07 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.91 3drd h LEU 200 Cb 0.70 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.73 3drd h LEU 200 CO 0.05 -0.12 -0.43 0.00 -0.34 0.00 0.00 178.44 177.60 3drd h ALA 201 N 0.81 -0.34 -0.75 1.25 0.00 -0.76 0.01 119.26 119.48 3drd h ALA 201 Ca 0.02 0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.13 3drd h ALA 201 Cb 0.18 0.93 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 3drd h ALA 201 CO -0.07 -0.83 0.39 1.96 0.00 0.00 0.00 179.25 180.71 3drd h GLN 202 N -0.25 0.63 -0.01 0.00 1.08 -1.03 0.19 115.11 115.72 3drd h GLN 202 Ca 0.17 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3drd h GLN 202 Cb 0.57 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.85 3drd h GLN 202 CO -0.65 0.42 0.00 1.25 -0.95 0.00 0.00 178.83 178.90 3drd h LEU 203 N 0.65 0.01 -0.66 1.46 5.85 -0.79 -3.10 115.31 118.74 3drd h LEU 203 Ca 0.37 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3drd h LEU 203 Cb 0.39 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3drd h LEU 203 CO -0.27 0.32 0.43 -0.07 -0.34 0.00 0.00 178.44 178.51 3drd h LEU 204 N -0.29 0.76 -0.82 2.25 3.38 -0.68 -1.42 115.31 118.48 3drd h LEU 204 Ca 0.00 -0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.13 3drd h LEU 204 Cb 0.31 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 40.76 3drd h LEU 204 CO 0.00 0.55 0.31 -0.08 0.09 0.00 0.00 178.44 179.32 3drd h GLU 205 N 0.89 0.38 0.00 1.13 4.57 -0.56 0.24 114.58 121.22 3drd h GLU 205 Ca 0.24 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 3drd h GLU 205 Cb -0.10 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 3drd h GLU 205 CO -0.05 0.25 -1.28 -0.85 -1.18 0.00 0.00 179.01 175.89 3drd n GLU 206 N -5.06 0.32 0.00 1.92 0.28 -1.15 -4.58 120.64 112.38 3drd n GLU 206 Ca 0.18 -0.05 0.01 0.00 -0.16 0.00 0.00 57.16 57.14 3drd n GLU 206 Cb 0.54 -1.56 -0.00 0.00 1.43 0.00 0.00 31.44 31.85 3drd n GLU 206 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3drd n HIS 207 N -1.94 0.00 -0.31 -1.84 8.25 -0.55 -4.82 115.22 114.00 3drd n HIS 207 Ca 0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 3drd n HIS 207 Cb 0.45 0.00 0.35 0.00 1.12 0.00 0.00 29.99 31.91 3drd n HIS 207 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3drd h HIS 208 N 0.27 0.93 0.00 4.41 2.07 -1.16 -1.16 115.15 120.51 3drd h HIS 208 Ca 0.00 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.55 3drd h HIS 208 Cb 0.09 -0.29 0.00 0.00 2.57 0.00 0.00 27.41 29.78 3drd h HIS 208 CO 0.00 0.28 0.00 0.39 -3.07 0.00 0.00 177.93 175.53 3drd n GLU 209 N -4.64 0.14 -0.06 5.12 1.02 -1.26 -1.44 120.64 119.52 3drd n GLU 209 Ca 0.20 0.44 0.07 0.00 -0.02 0.00 0.00 57.16 57.85 3drd n GLU 209 Cb 0.53 -1.80 0.10 0.00 -0.02 0.00 0.00 31.44 30.25 3drd n GLU 209 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3drd n GLU 210 N -2.06 1.47 -3.83 3.49 1.02 -0.45 -3.95 120.64 116.34 3drd n GLU 210 Ca 0.02 -1.58 -0.36 0.00 -0.02 0.00 0.00 57.16 55.21 3drd n GLU 210 Cb 0.17 -1.30 -0.11 0.00 -0.02 0.00 0.00 31.44 30.18 3drd n GLU 210 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3drd s ILE 211 N -1.17 4.64 -0.07 -3.67 1.01 -0.52 -0.14 121.20 121.27 3drd s ILE 211 Ca 0.20 -0.07 -0.22 0.00 0.00 0.00 0.00 60.65 60.56 3drd s ILE 211 Cb 0.13 -3.15 -0.30 0.00 0.01 0.00 0.00 42.46 39.16 3drd s ILE 211 CO 0.19 0.37 0.81 0.00 0.00 0.00 0.00 174.94 176.30 3drd h ALA 212 N 7.72 -0.03 -2.91 9.38 0.00 -0.10 -3.44 119.26 129.88 3drd h ALA 212 Ca -0.37 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 53.77 3drd h ALA 212 Cb 1.18 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 19.00 3drd h ALA 212 CO 0.61 0.40 0.11 0.00 0.00 0.00 0.00 179.25 180.38 3drd s ALA 213 N -2.40 -1.37 -0.06 0.00 0.00 -1.22 -2.00 121.76 114.70 3drd s ALA 213 Ca -0.16 0.31 0.05 0.00 0.00 0.00 0.00 51.96 52.17 3drd s ALA 213 Cb 0.01 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.94 3drd s ALA 213 CO 0.79 -0.72 -0.23 -1.17 0.00 0.00 0.00 175.76 174.43 3drd s LEU 214 N -2.76 2.03 -0.15 0.00 0.20 0.53 -1.08 118.68 117.46 3drd s LEU 214 Ca 0.02 -0.49 -0.00 0.00 0.69 0.00 0.00 54.13 54.35 3drd s LEU 214 Cb -0.00 -1.29 -0.01 0.00 -0.43 0.00 0.00 46.19 44.46 3drd s LEU 214 CO -0.13 0.20 -0.14 -0.55 -0.29 0.00 0.00 176.35 175.45 3drd s SER 215 N 0.01 3.85 -0.06 3.68 0.15 -0.41 0.27 113.70 121.18 3drd s SER 215 Ca -0.07 -0.40 -0.12 0.00 0.70 0.00 0.00 55.95 56.06 3drd s SER 215 Cb -0.14 -1.59 0.02 0.00 -1.71 0.00 0.00 66.02 62.60 3drd s SER 215 CO 0.05 0.12 0.29 -0.51 1.20 0.00 0.00 173.24 174.38 3drd s ILE 216 N 0.62 0.03 0.46 6.45 2.07 -0.71 -3.16 121.20 126.97 3drd s ILE 216 Ca -0.08 -0.27 -0.23 0.00 -1.41 0.00 0.00 60.65 58.66 3drd s ILE 216 Cb -0.16 -0.50 -0.07 0.00 0.13 0.00 0.00 42.46 41.86 3drd s ILE 216 CO 0.03 -0.15 1.14 -1.61 -1.91 0.00 0.00 174.94 172.44 3drd s GLU 217 N -0.63 3.77 -0.44 3.50 2.02 -1.26 -0.54 118.70 125.13 3drd s GLU 217 Ca -0.07 1.71 -0.25 0.00 0.02 0.00 0.00 54.97 56.38 3drd s GLU 217 Cb -0.04 -2.38 0.02 0.00 0.10 0.00 0.00 34.13 31.84 3drd s GLU 217 CO 0.02 -0.53 0.91 0.45 0.02 0.00 0.00 175.26 176.14 3drd s SER 218 N -1.44 6.53 0.00 -0.19 0.15 -0.54 -4.52 113.70 113.69 3drd s SER 218 Ca 0.64 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.50 3drd s SER 218 Cb -0.27 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 3drd s SER 218 CO 0.33 -0.99 0.00 0.23 1.20 0.00 0.00 173.24 174.00 3drd n MET 219 N 7.04 0.00 -4.14 5.44 2.81 -1.26 -4.84 117.12 122.18 3drd n MET 219 Ca 0.06 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.74 3drd n MET 219 Cb 0.48 -0.51 -0.17 0.00 -0.71 0.00 0.00 33.22 32.32 3drd n MET 219 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3drd s VAL 220 N 0.00 0.63 -0.56 2.03 1.01 -1.26 0.11 120.40 122.36 3drd s VAL 220 Ca 0.00 -0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 3drd s VAL 220 Cb 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 36.38 35.75 3drd s VAL 220 CO 0.00 0.26 1.18 -1.10 0.00 0.00 0.00 175.10 175.43 3drd s GLN 221 N 1.10 3.55 0.00 2.72 -0.21 0.05 -4.82 119.66 122.04 3drd s GLN 221 Ca -0.08 0.29 0.00 0.00 0.02 0.00 0.00 55.36 55.59 3drd s GLN 221 Cb -0.14 -4.00 0.00 0.00 1.00 0.00 0.00 33.01 29.87 3drd s GLN 221 CO -0.01 -1.63 0.36 0.41 -2.12 0.00 0.00 175.29 172.30 3drd n GLY 222 N 5.03 -0.98 0.27 3.09 0.00 -1.26 -0.57 105.19 110.76 3drd n GLY 222 Ca 0.09 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.26 3drd n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3drd h ALA 223 N -2.00 1.07 0.00 4.61 0.00 -2.02 -1.46 119.26 119.47 3drd h ALA 223 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3drd h ALA 223 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3drd h ALA 223 CO 0.00 0.11 0.00 0.43 0.00 0.00 0.00 179.25 179.79 3drd n SER 224 N -3.30 0.00 0.00 0.00 7.64 -1.26 -4.81 113.62 111.89 3drd n SER 224 Ca -0.01 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.34 3drd n SER 224 Cb 0.29 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 3drd n SER 224 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3drd n GLY 225 N 0.33 1.98 3.48 0.23 0.00 -0.63 -4.81 105.19 105.77 3drd n GLY 225 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 3drd n GLY 225 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3drd n MET 226 N -0.20 -6.64 -3.20 1.61 2.81 0.26 -4.90 117.12 106.87 3drd n MET 226 Ca 0.00 0.83 -0.40 0.00 -1.81 0.00 0.00 57.70 56.31 3drd n MET 226 Cb 0.00 -5.81 -0.07 0.00 -0.71 0.00 0.00 33.22 26.63 3drd n MET 226 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3drd s ILE 227 N -3.38 5.04 0.03 2.02 1.01 -0.81 -4.66 121.20 120.45 3drd s ILE 227 Ca 0.08 0.90 -0.26 0.00 0.00 0.00 0.00 60.65 61.37 3drd s ILE 227 Cb -0.03 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 3drd s ILE 227 CO 0.74 0.03 0.81 -0.69 0.00 0.00 0.00 174.94 175.84 3drd s VAL 228 N 2.39 4.77 0.25 2.92 1.01 -1.26 -0.77 120.40 129.70 3drd s VAL 228 Ca 0.22 1.72 -0.30 0.00 0.00 0.00 0.00 61.98 63.63 3drd s VAL 228 Cb -0.15 -4.16 -0.09 0.00 0.00 0.00 0.00 36.38 31.97 3drd s VAL 228 CO 0.09 0.31 1.23 -0.04 0.00 0.00 0.00 175.10 176.69 3drd s MET 229 N 0.25 4.47 0.49 2.72 -1.94 0.31 -4.93 119.30 120.67 3drd s MET 229 Ca 0.41 1.98 -0.23 0.00 -1.71 0.00 0.00 55.69 56.15 3drd s MET 229 Cb -0.20 -3.17 -0.06 0.00 2.01 0.00 0.00 34.83 33.40 3drd s MET 229 CO 0.24 -0.07 1.32 -1.25 -0.01 0.00 0.00 175.02 175.25 3drd s PRO 230 N -0.90 3.48 -0.41 2.03 0.04 -1.26 -4.90 135.00 133.08 3drd s PRO 230 Ca 0.51 2.16 -0.44 0.00 0.04 0.00 0.00 61.00 63.27 3drd s PRO 230 Cb -0.35 -2.43 -0.18 0.00 0.04 0.00 0.00 34.50 31.58 3drd s PRO 230 CO 0.42 -0.90 1.71 -1.91 0.04 0.00 0.00 177.00 176.37 3drd n GLU 231 N -0.61 0.47 0.00 4.56 4.07 -1.26 -1.59 120.64 126.28 3drd n GLU 231 Ca 0.08 0.17 0.00 0.00 -0.06 0.00 0.00 57.16 57.35 3drd n GLU 231 Cb 0.45 -1.76 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 3drd n GLU 231 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3drd n GLY 232 N 4.40 1.52 0.14 8.31 0.00 -1.26 -4.91 105.19 113.38 3drd n GLY 232 Ca 0.31 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 3drd n GLY 232 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3drd h TYR 233 N 0.00 -0.24 -0.46 1.61 5.03 -1.66 -0.82 116.97 120.43 3drd h TYR 233 Ca 0.00 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.35 3drd h TYR 233 Cb 0.00 0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.32 3drd h TYR 233 CO 0.00 0.08 0.20 1.25 -1.32 0.00 0.00 178.16 178.37 3drd h LEU 234 N -0.58 0.26 -0.74 2.82 6.46 -1.93 0.16 115.31 121.76 3drd h LEU 234 Ca -0.03 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.79 3drd h LEU 234 Cb 0.43 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 3drd h LEU 234 CO 0.04 0.19 0.48 0.00 -0.62 0.00 0.00 178.44 178.53 3drd h ALA 235 N 1.27 0.95 -0.44 1.25 0.00 -1.82 -0.68 119.26 119.79 3drd h ALA 235 Ca 0.21 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.13 3drd h ALA 235 Cb 0.15 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3drd h ALA 235 CO -0.17 0.30 0.14 0.78 0.00 0.00 0.00 179.25 180.30 3drd h GLY 236 N 0.95 0.56 1.20 0.00 0.00 -0.33 -1.07 103.07 104.38 3drd h GLY 236 Ca 0.28 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 3drd h GLY 236 CO -0.08 0.01 0.25 -0.24 0.00 0.00 0.00 176.54 176.47 3drd h VAL 237 N 0.30 1.24 -0.53 4.60 3.04 -0.25 -2.44 116.25 122.21 3drd h VAL 237 Ca 0.21 -0.78 0.04 0.00 -1.01 0.00 0.00 66.70 65.16 3drd h VAL 237 Cb 0.21 0.46 -0.04 0.00 -2.01 0.00 0.00 31.29 29.90 3drd h VAL 237 CO -0.22 0.31 0.28 -0.09 -1.01 0.00 0.00 177.57 176.84 3drd h ARG 238 N 0.99 0.52 -0.75 4.17 9.65 -0.77 -1.84 114.38 126.34 3drd h ARG 238 Ca 0.23 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.07 3drd h ARG 238 Cb 0.23 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.65 3drd h ARG 238 CO -0.02 0.35 0.44 1.49 2.80 0.00 0.00 179.97 185.03 3drd h GLU 239 N 0.54 1.03 -0.40 0.20 4.81 -0.98 -2.20 114.58 117.58 3drd h GLU 239 Ca 0.23 -0.10 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 3drd h GLU 239 Cb 0.13 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3drd h GLU 239 CO -0.15 0.74 -0.29 -0.07 -0.73 0.00 0.00 179.01 178.50 3drd h LEU 240 N 1.03 0.91 -0.27 1.64 3.38 -1.23 -1.05 115.31 119.72 3drd h LEU 240 Ca 0.27 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3drd h LEU 240 Cb -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3drd h LEU 240 CO -0.05 1.13 0.17 0.00 0.09 0.00 0.00 178.44 179.79 3drd h THR 242 N 0.35 0.38 -0.84 0.00 2.02 -1.37 0.11 112.91 113.57 3drd h THR 242 Ca 0.10 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.47 3drd h THR 242 Cb -0.01 0.38 -0.12 0.00 -1.74 0.00 0.00 68.15 66.65 3drd h THR 242 CO -0.02 0.00 0.31 0.74 0.37 0.00 0.00 175.52 176.92 3drd h THR 243 N -0.81 0.49 -0.67 3.16 2.02 -1.14 -2.29 112.91 113.67 3drd h THR 243 Ca -0.07 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3drd h THR 243 Cb 0.64 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3drd h THR 243 CO 0.10 0.06 0.00 -1.22 0.37 0.00 0.00 175.52 174.84 3drd n TYR 244 N -5.09 1.36 -3.79 3.16 4.01 -0.18 -4.97 117.16 111.66 3drd n TYR 244 Ca 0.19 -0.57 -0.25 0.00 -0.16 0.00 0.00 57.90 57.12 3drd n TYR 244 Cb 0.58 -0.18 0.03 0.00 -0.31 0.00 0.00 39.34 39.45 3drd n TYR 244 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3drd n ASP 245 N 1.27 -2.45 -4.51 7.72 10.43 -0.39 -4.85 116.55 123.76 3drd n ASP 245 Ca 0.25 -0.81 -0.33 0.00 2.57 0.00 0.00 54.79 56.47 3drd n ASP 245 Cb 0.82 -3.95 -0.13 0.00 1.84 0.00 0.00 41.12 39.71 3drd n ASP 245 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3drd s VAL 246 N -3.55 3.27 0.12 2.53 1.01 0.26 -4.97 120.40 119.06 3drd s VAL 246 Ca 0.24 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 3drd s VAL 246 Cb -0.12 -2.30 -0.07 0.00 0.00 0.00 0.00 36.38 33.89 3drd s VAL 246 CO 0.82 0.59 1.14 -0.76 0.00 0.00 0.00 175.10 176.90 3drd s LEU 247 N -0.73 4.43 -0.42 3.92 1.43 -0.85 -4.36 118.68 122.11 3drd s LEU 247 Ca 0.11 2.05 -0.20 0.00 -1.03 0.00 0.00 54.13 55.06 3drd s LEU 247 Cb -0.11 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.54 3drd s LEU 247 CO 0.01 -0.34 0.58 -0.32 0.23 0.00 0.00 176.35 176.51 3drd s MET 248 N 0.31 3.28 -0.23 1.70 -2.45 -1.26 -0.35 119.30 120.30 3drd s MET 248 Ca 0.54 -0.43 -0.15 0.00 -1.25 0.00 0.00 55.69 54.39 3drd s MET 248 Cb -0.29 -3.94 -0.04 0.00 1.25 0.00 0.00 34.83 31.81 3drd s MET 248 CO 0.32 -0.93 0.39 0.42 1.05 0.00 0.00 175.02 176.27 3drd s ILE 249 N 2.61 5.19 -0.18 10.11 1.01 0.14 -1.73 121.20 138.36 3drd s ILE 249 Ca 0.20 0.65 -0.02 0.00 0.00 0.00 0.00 60.65 61.47 3drd s ILE 249 Cb -0.15 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 3drd s ILE 249 CO 0.17 0.22 -0.09 -0.69 0.00 0.00 0.00 174.94 174.55 3drd s VAL 250 N 1.60 3.20 -0.47 2.92 1.01 0.72 -1.75 120.40 127.64 3drd s VAL 250 Ca 0.17 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 3drd s VAL 250 Cb -0.15 -2.40 0.04 0.00 0.00 0.00 0.00 36.38 33.86 3drd s VAL 250 CO 0.08 0.48 0.64 -0.62 0.00 0.00 0.00 175.10 175.68 3drd s ASP 251 N 0.91 6.28 -0.22 3.32 -1.08 0.30 -1.43 116.67 124.75 3drd s ASP 251 Ca -0.02 -0.55 0.14 0.00 -0.52 0.00 0.00 52.55 51.60 3drd s ASP 251 Cb -0.15 -2.31 0.48 0.00 -1.46 0.00 0.00 42.92 39.48 3drd s ASP 251 CO 0.00 -0.83 1.39 -0.62 0.52 0.00 0.00 175.17 175.63 3drd n GLU 252 N 6.26 2.18 -0.07 4.34 -0.58 -0.12 -1.47 120.64 131.18 3drd n GLU 252 Ca -0.03 -2.96 -0.11 0.00 -0.42 0.00 0.00 57.16 53.64 3drd n GLU 252 Cb 0.47 -1.77 -0.04 0.00 -0.57 0.00 0.00 31.44 29.53 3drd n GLU 252 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3drd h VAL 253 N 1.16 1.19 0.18 2.62 2.07 -1.86 0.12 116.25 121.73 3drd h VAL 253 Ca 0.09 -0.59 -0.31 0.00 0.82 0.00 0.00 66.70 66.70 3drd h VAL 253 Cb 1.43 1.17 0.01 0.00 -1.52 0.00 0.00 31.29 32.39 3drd h VAL 253 CO 0.24 0.19 -1.45 0.00 0.02 0.00 0.00 177.57 176.57 3drd h ALA 254 N 0.89 0.05 0.00 1.67 0.00 -1.90 -3.37 119.26 116.60 3drd h ALA 254 Ca 0.07 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 54.02 3drd h ALA 254 Cb 0.23 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3drd h ALA 254 CO -0.00 0.92 -0.60 1.79 0.00 0.00 0.00 179.25 181.36 3drd h THR 255 N 0.10 0.00 -4.07 0.00 1.35 -1.85 -3.47 112.91 104.97 3drd h THR 255 Ca -0.23 -0.65 -0.50 0.00 -0.55 0.00 0.00 66.41 64.48 3drd h THR 255 Cb 2.07 1.29 0.19 0.00 -1.73 0.00 0.00 68.15 69.96 3drd h THR 255 CO 0.22 0.00 0.20 -0.83 -0.25 0.00 0.00 175.52 174.86 3drd s GLY 256 N -3.86 1.65 -1.01 5.82 0.00 0.40 -3.49 107.32 106.84 3drd s GLY 256 Ca 0.05 0.37 -0.10 0.00 0.00 0.00 0.00 44.72 45.04 3drd s GLY 256 CO 0.72 0.84 0.82 0.69 0.00 0.00 0.00 173.10 176.18 3drd n PHE 257 N -4.26 -2.34 -0.52 1.90 3.72 0.16 -3.55 117.46 112.57 3drd n PHE 257 Ca 0.09 0.76 0.00 0.00 -0.05 0.00 0.00 57.45 58.26 3drd n PHE 257 Cb 0.53 -3.81 0.00 0.00 -0.94 0.00 0.00 39.48 35.25 3drd n PHE 257 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3drd n GLY 258 N -1.50 1.73 0.37 1.37 0.00 -0.85 -4.90 105.19 101.40 3drd n GLY 258 Ca -0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.99 3drd n GLY 258 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3drd h ARG 259 N 2.31 1.06 -0.68 1.61 9.65 -1.60 -1.95 114.38 124.78 3drd h ARG 259 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3drd h ARG 259 Cb 0.00 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 28.34 3drd h ARG 259 CO 0.00 0.70 0.00 0.25 2.80 0.00 0.00 179.97 183.72 3drd n THR 260 N -4.54 1.21 -0.59 0.20 -2.24 -1.25 -1.03 114.28 106.04 3drd n THR 260 Ca 0.17 -0.99 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 3drd n THR 260 Cb 0.25 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3drd n THR 260 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3drd n GLY 261 N 1.43 0.71 3.25 3.38 0.00 -0.73 -3.82 105.19 109.41 3drd n GLY 261 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 3drd n GLY 261 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3drd s LYS 262 N -0.41 1.05 0.15 1.61 -0.14 -1.26 -4.65 119.74 116.09 3drd s LYS 262 Ca 0.00 -1.43 -0.17 0.00 -1.36 0.00 0.00 55.97 53.01 3drd s LYS 262 Cb 0.00 -0.63 0.03 0.00 -1.68 0.00 0.00 37.83 35.55 3drd s LYS 262 CO 0.00 0.08 1.75 1.98 -0.76 0.00 0.00 175.35 178.40 3drd h MET 263 N 2.83 0.24 -5.45 1.68 1.85 -1.93 -2.27 114.93 111.88 3drd h MET 263 Ca -0.37 -0.01 -0.57 0.00 -0.61 0.00 0.00 59.70 58.14 3drd h MET 263 Cb 1.19 -0.06 -0.31 0.00 0.43 0.00 0.00 31.60 32.86 3drd h MET 263 CO 0.63 0.16 -0.84 -0.06 -0.40 0.00 0.00 176.91 176.40 3drd s PHE 264 N -6.17 1.73 0.60 1.39 0.08 -1.26 0.36 117.98 114.71 3drd s PHE 264 Ca -0.13 -0.46 0.31 0.00 0.12 0.00 0.00 56.93 56.77 3drd s PHE 264 Cb 0.11 -1.15 1.84 0.00 -0.57 0.00 0.00 43.02 43.25 3drd s PHE 264 CO 0.71 -0.13 2.23 0.00 -0.10 0.00 0.00 175.22 177.92 3drd h ALA 265 N 6.10 1.54 0.00 5.36 0.00 -1.79 -1.94 119.26 128.53 3drd h ALA 265 Ca -0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3drd h ALA 265 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3drd h ALA 265 CO 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.66 3drd h GLU 267 N 0.00 0.00 -0.67 0.00 5.08 -1.62 -0.60 114.58 116.77 3drd h GLU 267 Ca 0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 3drd h GLU 267 Cb 0.25 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 3drd h GLU 267 CO 0.00 0.24 0.44 0.45 -1.00 0.00 0.00 179.01 179.14 3drd h HIS 268 N 0.00 0.54 0.00 4.33 3.86 -1.54 -2.45 115.15 119.89 3drd h HIS 268 Ca -0.00 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 3drd h HIS 268 Cb 0.61 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.87 3drd h HIS 268 CO 0.00 0.25 -0.45 0.39 0.86 0.00 0.00 177.93 178.99 3drd n GLU 269 N -4.48 1.35 -4.38 2.45 1.02 -1.14 -5.00 120.64 110.47 3drd n GLU 269 Ca 0.11 -3.00 -0.34 0.00 -0.02 0.00 0.00 57.16 53.91 3drd n GLU 269 Cb 0.37 -1.43 -0.09 0.00 -0.02 0.00 0.00 31.44 30.26 3drd n GLU 269 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3drd n ASN 270 N -1.02 0.26 -4.85 1.62 3.02 -0.92 -4.66 115.26 108.71 3drd n ASN 270 Ca 0.17 -1.27 -0.37 0.00 -0.03 0.00 0.00 54.58 53.08 3drd n ASN 270 Cb 0.72 -1.59 -0.06 0.00 -0.61 0.00 0.00 39.78 38.23 3drd n ASN 270 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3drd s VAL 271 N -4.10 5.47 -0.44 2.41 -7.23 -0.26 -5.00 120.40 111.25 3drd s VAL 271 Ca 0.21 0.24 -0.15 0.00 -1.81 0.00 0.00 61.98 60.48 3drd s VAL 271 Cb -0.12 -3.43 0.05 0.00 0.56 0.00 0.00 36.38 33.43 3drd s VAL 271 CO 1.01 0.58 0.33 -1.10 -0.31 0.00 0.00 175.10 175.61 3drd s GLN 272 N -0.76 2.94 0.86 4.82 -1.52 -1.26 -4.68 119.66 120.05 3drd s GLN 272 Ca 0.14 -1.21 -0.11 0.00 -1.95 0.00 0.00 55.36 52.24 3drd s GLN 272 Cb -0.12 -4.02 0.11 0.00 -0.22 0.00 0.00 33.01 28.76 3drd s GLN 272 CO 0.03 -0.89 1.10 -2.14 -0.25 0.00 0.00 175.29 173.14 3drd s PRO 273 N 1.64 1.56 -0.14 2.91 0.02 -1.26 -4.99 135.00 134.74 3drd s PRO 273 Ca 0.04 1.12 -0.02 0.00 0.02 0.00 0.00 61.00 62.16 3drd s PRO 273 Cb -0.22 -1.82 -0.24 0.00 0.02 0.00 0.00 34.50 32.24 3drd s PRO 273 CO 0.08 -2.12 0.29 -0.25 -0.33 0.00 0.00 177.00 174.67 3drd n ASP 274 N -3.84 1.91 -4.08 2.53 8.00 -0.70 -4.74 116.55 115.62 3drd n ASP 274 Ca 0.09 0.17 -0.22 0.00 0.71 0.00 0.00 54.79 55.54 3drd n ASP 274 Cb 0.54 -0.65 -0.15 0.00 -0.02 0.00 0.00 41.12 40.84 3drd n ASP 274 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3drd s LEU 275 N -6.81 1.97 -0.04 0.64 1.43 -1.06 -2.60 118.68 112.21 3drd s LEU 275 Ca -0.22 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 3drd s LEU 275 Cb 0.07 -0.68 0.03 0.00 0.03 0.00 0.00 46.19 45.64 3drd s LEU 275 CO 0.75 0.14 0.03 -0.32 0.23 0.00 0.00 176.35 177.18 3drd s MET 276 N -0.18 0.15 -0.11 1.70 1.75 -0.75 -0.20 119.30 121.66 3drd s MET 276 Ca 0.03 0.21 -0.11 0.00 -1.25 0.00 0.00 55.69 54.56 3drd s MET 276 Cb -0.06 -0.52 -0.05 0.00 2.84 0.00 0.00 34.83 37.04 3drd s MET 276 CO -0.00 -0.23 0.26 0.00 -0.65 0.00 0.00 175.02 174.39 3drd s ALA 277 N 1.57 3.72 0.06 4.11 0.00 -0.52 -0.16 121.76 130.54 3drd s ALA 277 Ca -0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 3drd s ALA 277 Cb -0.13 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 3drd s ALA 277 CO -0.03 0.37 0.02 0.00 0.00 0.00 0.00 175.76 176.12 3drd s ALA 278 N -0.43 0.34 0.00 0.00 0.00 0.14 -0.94 121.76 120.87 3drd s ALA 278 Ca 0.17 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.07 3drd s ALA 278 Cb -0.13 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.29 3drd s ALA 278 CO 0.06 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.84 3drd n GLY 279 N 0.13 1.13 7.00 0.00 0.00 -1.26 -0.92 105.19 111.27 3drd n GLY 279 Ca -0.15 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3drd n GLY 279 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3drd n LYS 280 N 0.00 0.00 0.00 1.61 5.02 -1.26 -1.20 118.16 122.33 3drd n LYS 280 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 3drd n LYS 280 Cb 0.00 0.00 0.34 0.00 -0.02 0.00 0.00 35.03 35.35 3drd n LYS 280 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3drd n GLY 281 N 0.00 -0.43 0.34 0.72 0.00 -1.24 -3.29 105.19 101.29 3drd n GLY 281 Ca 0.00 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.04 3drd n GLY 281 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3drd h ILE 282 N 0.00 0.98 -0.49 -0.61 2.10 -1.46 -1.60 117.51 116.43 3drd h ILE 282 Ca 0.00 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.76 3drd h ILE 282 Cb 0.02 0.42 0.00 0.00 -1.09 0.00 0.00 36.82 36.16 3drd h ILE 282 CO 0.00 0.09 0.00 0.35 -1.08 0.00 0.00 178.15 177.51 3drd n THR 283 N -4.47 1.83 -0.86 2.19 -2.24 -1.21 -4.40 114.28 105.12 3drd n THR 283 Ca 0.08 -1.33 0.00 0.00 -2.27 0.00 0.00 64.05 60.53 3drd n THR 283 Cb 0.26 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 3drd n THR 283 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3drd n GLY 284 N 0.59 0.49 0.42 3.38 0.00 -0.60 -2.80 105.19 106.67 3drd n GLY 284 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3drd n GLY 284 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3drd n GLY 285 N -1.78 0.87 0.13 -0.02 0.00 -1.07 -1.62 105.19 101.70 3drd n GLY 285 Ca 0.00 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 3drd n GLY 285 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3drd n TYR 286 N -2.21 1.19 -4.10 1.61 4.02 -1.12 -4.76 117.16 111.79 3drd n TYR 286 Ca 0.00 0.33 -0.09 0.00 -0.01 0.00 0.00 57.90 58.13 3drd n TYR 286 Cb 0.00 -1.15 -0.10 0.00 -0.02 0.00 0.00 39.34 38.08 3drd n TYR 286 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3drd s LEU 287 N -7.33 1.95 -0.68 7.72 1.43 -1.26 -5.11 118.68 115.41 3drd s LEU 287 Ca -0.24 -1.08 -0.26 0.00 -1.03 0.00 0.00 54.13 51.51 3drd s LEU 287 Cb 0.06 0.36 0.04 0.00 0.03 0.00 0.00 46.19 46.69 3drd s LEU 287 CO 0.71 -0.69 1.15 -2.16 0.23 0.00 0.00 176.35 175.58 3drd s PRO 288 N -3.99 3.22 -0.04 1.29 0.04 -1.26 -4.72 135.00 129.54 3drd s PRO 288 Ca 0.17 -0.34 0.02 0.00 0.04 0.00 0.00 61.00 60.89 3drd s PRO 288 Cb 0.07 -4.16 0.01 0.00 0.04 0.00 0.00 34.50 30.47 3drd s PRO 288 CO -0.03 -1.93 -0.09 0.42 0.04 0.00 0.00 177.00 175.41 3drd s ILE 289 N 4.99 0.83 0.17 0.56 -1.09 -1.26 -4.84 121.20 120.57 3drd s ILE 289 Ca 0.32 -0.33 0.05 0.00 -2.23 0.00 0.00 60.65 58.45 3drd s ILE 289 Cb -0.11 -0.78 -0.05 0.00 -1.58 0.00 0.00 42.46 39.95 3drd s ILE 289 CO 0.15 0.28 -0.08 0.00 -1.23 0.00 0.00 174.94 174.06 3drd s ALA 290 N 0.57 1.58 0.00 9.38 0.00 -0.58 -4.26 121.76 128.45 3drd s ALA 290 Ca -0.10 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.29 3drd s ALA 290 Cb -0.13 0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.13 3drd s ALA 290 CO 0.02 -0.12 -0.00 0.14 0.00 0.00 0.00 175.76 175.79 3drd s VAL 291 N -3.32 0.01 -0.29 0.00 -7.23 -0.09 -1.25 120.40 108.23 3drd s VAL 291 Ca 0.20 -0.03 -0.07 0.00 -1.81 0.00 0.00 61.98 60.27 3drd s VAL 291 Cb 0.03 -0.02 0.01 0.00 0.56 0.00 0.00 36.38 36.95 3drd s VAL 291 CO 0.03 -0.01 0.08 -0.89 -0.31 0.00 0.00 175.10 173.99 3drd s THR 292 N -0.05 3.98 0.23 5.32 2.01 0.13 -0.69 115.64 126.57 3drd s THR 292 Ca -0.01 -0.65 -0.19 0.00 0.31 0.00 0.00 61.69 61.16 3drd s THR 292 Cb -0.00 -3.03 -0.08 0.00 0.01 0.00 0.00 72.50 69.39 3drd s THR 292 CO -0.00 0.11 0.72 -0.36 -0.69 0.00 0.00 174.62 174.40 3drd s PHE 293 N 1.51 3.61 0.05 4.92 0.40 0.78 -1.41 117.98 127.84 3drd s PHE 293 Ca 0.03 1.36 -0.02 0.00 -0.60 0.00 0.00 56.93 57.70 3drd s PHE 293 Cb -0.17 -2.60 -0.03 0.00 0.51 0.00 0.00 43.02 40.73 3drd s PHE 293 CO 0.02 0.31 0.01 0.00 0.70 0.00 0.00 175.22 176.26 3drd s ALA 294 N -1.58 0.30 0.72 5.36 0.00 -0.78 -1.82 121.76 123.96 3drd s ALA 294 Ca 0.44 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 3drd s ALA 294 Cb -0.16 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.25 3drd s ALA 294 CO 0.20 -0.34 1.09 0.95 0.00 0.00 0.00 175.76 177.67 3drd s THR 295 N -3.29 3.48 0.19 0.00 -4.23 -1.07 -0.83 115.64 109.89 3drd s THR 295 Ca 0.01 0.48 0.16 0.00 -1.18 0.00 0.00 61.69 61.16 3drd s THR 295 Cb 0.03 -3.44 0.08 0.00 1.34 0.00 0.00 72.50 70.52 3drd s THR 295 CO -0.08 -0.63 1.68 -0.08 -0.54 0.00 0.00 174.62 174.98 3drd h GLU 296 N -0.70 0.00 -0.37 3.99 4.57 -1.94 -2.63 114.58 117.49 3drd h GLU 296 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 3drd h GLU 296 Cb 1.25 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 3drd h GLU 296 CO 0.63 0.46 0.24 0.22 -1.18 0.00 0.00 179.01 179.38 3drd h ASP 297 N 0.00 0.44 -0.33 1.04 3.58 -1.93 -1.04 116.42 118.17 3drd h ASP 297 Ca -0.00 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.37 3drd h ASP 297 Cb 0.98 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 3drd h ASP 297 CO 0.06 0.34 0.05 0.40 -2.88 0.00 0.00 179.24 177.21 3drd h ILE 298 N 0.50 1.24 -0.47 2.25 2.04 -1.93 -3.12 117.51 118.02 3drd h ILE 298 Ca 0.14 -0.85 0.08 0.00 1.00 0.00 0.00 64.86 65.23 3drd h ILE 298 Cb -0.03 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 3drd h ILE 298 CO -0.03 0.28 0.07 0.22 0.00 0.00 0.00 178.15 178.69 3drd h TYR 299 N 0.39 0.10 0.00 1.37 3.20 -1.34 -2.97 116.97 117.72 3drd h TYR 299 Ca 0.10 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3drd h TYR 299 Cb 0.37 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 3drd h TYR 299 CO 0.03 -0.03 -0.06 0.87 -1.64 0.00 0.00 178.16 177.32 3drd h LYS 300 N 0.19 0.00 0.00 1.82 1.57 -1.13 -1.50 116.57 117.52 3drd h LYS 300 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3drd h LYS 300 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3drd h LYS 300 CO -0.33 0.06 0.00 0.00 -0.57 0.00 0.00 179.45 178.61 3drd n ALA 301 N -2.43 2.11 0.05 3.86 0.00 -1.12 -2.08 120.51 120.90 3drd n ALA 301 Ca -0.03 -0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.32 3drd n ALA 301 Cb 0.15 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.31 3drd n ALA 301 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3drd n PHE 302 N -1.15 0.04 -3.66 0.00 3.72 -0.57 -4.82 117.46 111.01 3drd n PHE 302 Ca 0.12 -0.19 -0.38 0.00 -0.05 0.00 0.00 57.45 56.94 3drd n PHE 302 Cb 0.11 -0.02 -0.12 0.00 -0.94 0.00 0.00 39.48 38.52 3drd n PHE 302 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3drd s TYR 303 N -0.51 3.17 0.02 1.38 5.04 -0.88 -3.96 117.35 121.61 3drd s TYR 303 Ca 0.04 -0.49 -0.29 0.00 -2.44 0.00 0.00 57.07 53.89 3drd s TYR 303 Cb 0.02 -2.34 0.11 0.00 0.35 0.00 0.00 41.96 40.10 3drd s TYR 303 CO 0.03 -0.42 1.22 0.34 -1.34 0.00 0.00 175.55 175.39 3drd s ASP 304 N 1.63 -0.06 0.19 4.32 -1.08 -1.26 -4.98 116.67 115.42 3drd s ASP 304 Ca 0.05 -0.22 -0.30 0.00 -0.52 0.00 0.00 52.55 51.56 3drd s ASP 304 Cb -0.17 0.23 -0.08 0.00 -1.46 0.00 0.00 42.92 41.45 3drd s ASP 304 CO 0.06 -0.44 1.08 -1.81 0.52 0.00 0.00 175.17 174.58 3drd s ASP 305 N -3.10 7.31 0.55 -0.34 1.01 -1.26 -4.88 116.67 115.96 3drd s ASP 305 Ca 0.16 2.07 0.41 0.00 0.71 0.00 0.00 52.55 55.90 3drd s ASP 305 Cb 0.03 -2.61 1.61 0.00 1.01 0.00 0.00 42.92 42.96 3drd s ASP 305 CO -0.02 -0.18 1.73 0.22 0.21 0.00 0.00 175.17 177.14 3drd h TYR 306 N 4.96 0.00 0.00 4.23 3.20 -2.00 0.30 116.97 127.66 3drd h TYR 306 Ca -0.44 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.41 3drd h TYR 306 Cb 1.21 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.48 3drd h TYR 306 CO 0.62 0.00 -0.09 1.05 -1.64 0.00 0.00 178.16 178.10 3drd h GLU 307 N 0.00 0.00 -0.00 1.82 4.11 -2.06 -2.88 114.58 115.58 3drd h GLU 307 Ca 0.68 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.11 3drd h GLU 307 Cb 2.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.98 3drd h GLU 307 CO -0.01 0.09 -0.01 0.09 0.07 0.00 0.00 179.01 179.24 3drd n ASN 308 N -3.35 0.24 -2.78 3.06 3.02 0.11 -4.92 115.26 110.64 3drd n ASN 308 Ca -0.01 -0.91 -0.18 0.00 -0.03 0.00 0.00 54.58 53.46 3drd n ASN 308 Cb 0.28 -0.05 0.06 0.00 -0.61 0.00 0.00 39.78 39.46 3drd n ASN 308 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3drd n LEU 309 N -0.88 -3.02 -0.22 3.41 4.77 -1.09 -4.94 117.00 115.04 3drd n LEU 309 Ca 0.21 -0.39 0.07 0.00 -0.03 0.00 0.00 56.01 55.87 3drd n LEU 309 Cb 0.18 -2.39 -0.03 0.00 -2.33 0.00 0.00 43.42 38.85 3drd n LEU 309 CO 0.19 0.48 0.15 0.29 -1.33 0.00 0.00 177.39 177.17 3drd n LYS 310 N -3.83 2.05 -1.68 3.23 5.02 -1.26 -4.99 118.16 116.69 3drd n LYS 310 Ca 0.00 -0.50 -0.43 0.00 -2.02 0.00 0.00 58.31 55.36 3drd n LYS 310 Cb 0.55 -1.19 -0.01 0.00 -0.02 0.00 0.00 35.03 34.35 3drd n LYS 310 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3drd n THR 311 N -0.55 1.70 -2.59 -0.18 -1.04 -1.25 -4.29 114.28 106.08 3drd n THR 311 Ca 0.05 -0.43 -0.41 0.00 -2.04 0.00 0.00 64.05 61.22 3drd n THR 311 Cb 0.27 -1.48 -0.03 0.00 -1.82 0.00 0.00 70.33 67.27 3drd n THR 311 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3drd s PHE 312 N -0.80 2.54 -1.41 -1.42 5.36 -1.26 -4.95 117.98 116.03 3drd s PHE 312 Ca 0.59 -0.75 -0.15 0.00 -0.96 0.00 0.00 56.93 55.66 3drd s PHE 312 Cb -0.61 -4.65 0.05 0.00 -0.34 0.00 0.00 43.02 37.48 3drd s PHE 312 CO 0.58 -1.92 2.07 1.19 -1.46 0.00 0.00 175.22 175.68 3drd n PHE 313 N 8.77 3.90 -3.79 10.12 3.01 -1.26 -4.86 117.46 133.35 3drd n PHE 313 Ca 0.27 -2.94 -0.10 0.00 1.01 0.00 0.00 57.45 55.70 3drd n PHE 313 Cb 0.50 -2.58 -0.06 0.00 -0.01 0.00 0.00 39.48 37.34 3drd n PHE 313 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 3drd s HIS 314 N 3.49 0.04 -5.00 1.38 3.76 -1.26 -5.16 115.29 112.54 3drd s HIS 314 Ca 0.49 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.99 3drd s HIS 314 Cb 0.11 0.12 0.00 0.00 1.11 0.00 0.00 32.58 33.92 3drd s HIS 314 CO -0.03 -0.70 0.00 0.41 -0.85 0.00 0.00 174.74 173.57 3drd n GLY 315 N -0.20 0.89 0.00 -2.22 0.00 -1.26 -5.16 105.19 97.25 3drd n GLY 315 Ca -0.13 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.97 3drd n GLY 315 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3drd n HIS 316 N -0.85 0.00 0.06 1.61 1.44 -1.26 -5.11 115.22 111.11 3drd n HIS 316 Ca 0.00 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.62 3drd n HIS 316 Cb 0.00 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.05 3drd n HIS 316 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 3drd h SER 317 N 0.00 -0.21 -0.53 4.39 0.02 -2.02 -3.32 113.55 111.88 3drd h SER 317 Ca 0.00 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3drd h SER 317 Cb 0.00 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 3drd h SER 317 CO 0.00 0.34 0.00 -1.22 -1.14 0.00 0.00 176.83 174.81 3drd n TYR 318 N -4.93 1.92 -1.64 3.45 4.01 -1.26 -4.80 117.16 113.91 3drd n TYR 318 Ca -0.06 -0.67 -0.48 0.00 -0.16 0.00 0.00 57.90 56.52 3drd n TYR 318 Cb 0.22 -0.48 -0.05 0.00 -0.31 0.00 0.00 39.34 38.72 3drd n TYR 318 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3drd n THR 319 N 0.56 0.02 -3.71 -0.72 -1.04 -1.25 -1.94 114.28 106.20 3drd n THR 319 Ca 0.26 -0.01 -0.27 0.00 -2.04 0.00 0.00 64.05 62.00 3drd n THR 319 Cb 1.13 -1.24 0.06 0.00 -1.82 0.00 0.00 70.33 68.45 3drd n THR 319 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3drd n GLY 320 N 3.02 -0.53 3.64 3.41 0.00 -1.26 -4.16 105.19 109.32 3drd n GLY 320 Ca 0.17 0.23 -0.48 0.00 0.00 0.00 0.00 46.02 45.95 3drd n GLY 320 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3drd n ASN 321 N -2.92 2.59 -0.28 1.61 5.15 -0.82 -4.61 115.26 115.99 3drd n ASN 321 Ca 0.02 1.10 -0.04 0.00 -0.60 0.00 0.00 54.58 55.06 3drd n ASN 321 Cb 0.55 -1.35 0.07 0.00 -0.53 0.00 0.00 39.78 38.52 3drd n ASN 321 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 3drd h GLN 322 N 5.27 0.97 -0.44 1.20 7.50 -1.84 0.33 115.11 128.10 3drd h GLN 322 Ca -0.46 -0.06 -0.03 0.00 0.50 0.00 0.00 58.65 58.61 3drd h GLN 322 Cb 1.28 -0.22 -0.02 0.00 0.05 0.00 0.00 27.48 28.57 3drd h GLN 322 CO 0.84 0.64 0.15 -0.07 -1.50 0.00 0.00 178.83 178.90 3drd h LEU 323 N 1.00 0.62 -0.48 1.46 4.07 -1.79 0.29 115.31 120.48 3drd h LEU 323 Ca 0.29 -0.19 -0.13 0.00 0.08 0.00 0.00 57.88 57.93 3drd h LEU 323 Cb -0.08 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.49 3drd h LEU 323 CO -0.08 0.64 -0.21 1.23 -1.08 0.00 0.00 178.44 178.95 3drd h GLY 324 N 0.57 1.08 1.46 0.83 0.00 -1.85 -2.63 103.07 102.52 3drd h GLY 324 Ca 0.14 -0.95 -0.11 0.00 0.00 0.00 0.00 47.33 46.41 3drd h GLY 324 CO -0.01 0.87 -0.27 0.00 0.00 0.00 0.00 176.54 177.13 3drd h ALA 326 N 1.17 0.22 -0.11 0.00 0.00 -0.42 -1.20 119.26 118.92 3drd h ALA 326 Ca 0.07 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3drd h ALA 326 Cb 0.74 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3drd h ALA 326 CO 0.06 -0.25 -0.55 -0.24 0.00 0.00 0.00 179.25 178.26 3drd h VAL 327 N 0.18 1.35 -0.66 0.00 3.04 -1.41 -2.68 116.25 116.08 3drd h VAL 327 Ca 0.06 -1.85 -0.01 0.00 -1.01 0.00 0.00 66.70 63.89 3drd h VAL 327 Cb 0.06 1.88 -0.03 0.00 -2.01 0.00 0.00 31.29 31.18 3drd h VAL 327 CO -0.01 0.56 0.38 0.00 -1.01 0.00 0.00 177.57 177.48 3drd h ALA 328 N 1.15 0.84 -0.89 3.17 0.00 -1.22 0.23 119.26 122.54 3drd h ALA 328 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3drd h ALA 328 Cb 1.06 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3drd h ALA 328 CO 0.09 0.35 0.55 -0.07 0.00 0.00 0.00 179.25 180.16 3drd h LEU 329 N 0.90 1.06 -0.18 0.00 3.38 -1.02 -0.78 115.31 118.67 3drd h LEU 329 Ca 0.23 -0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.95 3drd h LEU 329 Cb 0.02 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.50 3drd h LEU 329 CO -0.04 0.81 -0.62 -0.08 0.09 0.00 0.00 178.44 178.60 3drd h GLU 330 N 1.22 0.75 -0.75 1.13 4.57 -1.12 -2.12 114.58 118.26 3drd h GLU 330 Ca 0.32 -0.56 0.13 0.00 -1.18 0.00 0.00 59.36 58.07 3drd h GLU 330 Cb -0.06 0.10 -0.09 0.00 -0.16 0.00 0.00 28.75 28.54 3drd h GLU 330 CO -0.06 1.18 0.33 -0.97 -1.18 0.00 0.00 179.01 178.31 3drd h ASN 331 N 0.47 0.36 0.66 1.04 -0.00 -0.28 -1.07 115.58 116.76 3drd h ASN 331 Ca -0.03 0.09 -0.17 0.00 -0.00 0.00 0.00 56.30 56.20 3drd h ASN 331 Cb 1.25 0.05 -0.02 0.00 -0.00 0.00 0.00 38.32 39.60 3drd h ASN 331 CO 0.13 0.16 -0.77 -0.07 -0.00 0.00 0.00 177.43 176.88 3drd h LEU 332 N 0.51 0.11 -0.78 0.34 3.38 -1.08 -1.77 115.31 116.01 3drd h LEU 332 Ca 0.40 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.23 3drd h LEU 332 Cb 0.56 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3drd h LEU 332 CO -0.36 0.83 0.17 0.00 0.09 0.00 0.00 178.44 179.18 3drd h ALA 333 N 1.16 1.01 -0.50 1.53 0.00 -0.83 -2.55 119.26 119.07 3drd h ALA 333 Ca -0.02 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3drd h ALA 333 Cb 1.36 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3drd h ALA 333 CO 0.11 0.65 0.07 -0.07 0.00 0.00 0.00 179.25 180.01 3drd h LEU 334 N 1.03 0.81 -0.92 0.00 3.38 -0.90 0.36 115.31 119.07 3drd h LEU 334 Ca 0.22 -0.27 0.24 0.00 0.09 0.00 0.00 57.88 58.16 3drd h LEU 334 Cb 0.35 -0.21 -0.13 0.00 0.09 0.00 0.00 40.66 40.76 3drd h LEU 334 CO 0.00 0.87 0.42 -0.26 0.09 0.00 0.00 178.44 179.56 3drd h PHE 335 N 0.71 0.69 0.03 1.13 -1.00 -1.14 0.15 116.94 117.50 3drd h PHE 335 Ca 0.15 0.04 -0.06 0.00 2.81 0.00 0.00 57.97 60.91 3drd h PHE 335 Cb 0.42 -0.16 0.01 0.00 3.61 0.00 0.00 35.95 39.83 3drd h PHE 335 CO 0.03 -0.08 -0.25 1.49 -1.61 0.00 0.00 178.31 177.89 3drd h GLU 336 N 0.38 0.12 0.00 1.51 4.57 -0.96 -2.17 114.58 118.02 3drd h GLU 336 Ca 0.59 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.61 3drd h GLU 336 Cb 1.18 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3drd h GLU 336 CO -0.55 1.00 0.00 -1.13 -1.18 0.00 0.00 179.01 177.15 3drd n SER 337 N -4.49 0.00 -0.03 1.04 3.41 0.05 -2.88 113.62 110.73 3drd n SER 337 Ca -0.11 0.11 0.01 0.00 -0.26 0.00 0.00 58.87 58.63 3drd n SER 337 Cb 0.55 -0.37 0.02 0.00 -0.26 0.00 0.00 64.21 64.15 3drd n SER 337 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3drd n GLU 338 N -1.37 2.09 -3.27 4.33 2.13 0.02 -5.02 120.64 119.55 3drd n GLU 338 Ca 0.11 -1.42 -0.06 0.00 0.66 0.00 0.00 57.16 56.45 3drd n GLU 338 Cb 0.27 -0.95 0.00 0.00 0.27 0.00 0.00 31.44 31.04 3drd n GLU 338 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3drd n ASN 339 N -0.50 -0.69 -0.24 4.31 6.94 -1.04 -4.81 115.26 119.22 3drd n ASN 339 Ca 0.02 -0.18 -0.02 0.00 -0.02 0.00 0.00 54.58 54.38 3drd n ASN 339 Cb 0.36 -0.25 0.09 0.00 -2.36 0.00 0.00 39.78 37.63 3drd n ASN 339 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 3drd h ILE 340 N 1.54 1.03 -0.03 1.53 1.08 -1.62 -2.75 117.51 118.29 3drd h ILE 340 Ca -0.11 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.09 3drd h ILE 340 Cb 0.22 0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 34.15 3drd h ILE 340 CO 0.07 0.14 0.00 0.58 -0.69 0.00 0.00 178.15 178.25 3drd h VAL 341 N 0.78 1.25 0.00 1.67 2.07 -1.87 -0.50 116.25 119.65 3drd h VAL 341 Ca 0.30 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3drd h VAL 341 Cb 0.11 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3drd h VAL 341 CO -0.15 0.20 -0.08 -0.33 0.02 0.00 0.00 177.57 177.23 3drd h GLU 342 N -0.24 0.00 0.00 1.57 4.39 -1.85 -2.47 114.58 115.99 3drd h GLU 342 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3drd h GLU 342 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 3drd h GLU 342 CO 0.00 0.08 -1.10 0.00 -1.16 0.00 0.00 179.01 176.83 3drd n GLN 343 N -4.24 0.35 -0.20 2.33 10.64 -1.04 -2.53 117.38 122.68 3drd n GLN 343 Ca -0.03 -0.01 -0.07 0.00 -1.83 0.00 0.00 57.00 55.06 3drd n GLN 343 Cb 0.16 -1.61 0.03 0.00 -0.86 0.00 0.00 30.24 27.96 3drd n GLN 343 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 3drd h VAL 344 N 0.00 1.21 -0.66 -0.39 2.07 -0.66 -0.24 116.25 117.59 3drd h VAL 344 Ca 0.00 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 3drd h VAL 344 Cb 0.78 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3drd h VAL 344 CO 0.00 0.25 0.15 0.00 0.02 0.00 0.00 177.57 177.99 3drd h ALA 345 N 1.10 1.02 0.33 1.67 0.00 -1.54 -1.29 119.26 120.56 3drd h ALA 345 Ca 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3drd h ALA 345 Cb 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3drd h ALA 345 CO -0.02 0.64 -0.16 0.93 0.00 0.00 0.00 179.25 180.64 3drd h GLU 346 N 0.99 -0.43 0.00 0.00 4.39 -1.35 -3.18 114.58 115.01 3drd h GLU 346 Ca 0.21 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 3drd h GLU 346 Cb 0.37 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3drd h GLU 346 CO 0.00 -0.15 -0.06 0.87 -1.16 0.00 0.00 179.01 178.51 3drd h LYS 347 N -0.69 0.00 0.00 2.33 6.56 -0.93 -2.32 116.57 121.52 3drd h LYS 347 Ca -0.05 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.50 3drd h LYS 347 Cb 0.48 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.13 3drd h LYS 347 CO 0.08 0.06 -0.20 0.77 -2.06 0.00 0.00 179.45 178.09 3drd h SER 348 N 0.00 0.00 0.31 0.86 0.02 -1.21 -2.24 113.55 111.29 3drd h SER 348 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3drd h SER 348 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3drd h SER 348 CO 0.01 0.20 -0.15 0.11 -1.14 0.00 0.00 176.83 175.87 3drd h LYS 349 N 0.00 -0.40 0.00 3.45 1.57 -1.48 0.16 116.57 119.87 3drd h LYS 349 Ca -0.00 0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 3drd h LYS 349 Cb 0.44 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 3drd h LYS 349 CO 0.03 -0.24 -0.55 0.87 -0.57 0.00 0.00 179.45 178.98 3drd h LYS 350 N -0.45 0.00 -0.92 3.15 6.56 -1.72 -3.01 116.57 120.19 3drd h LYS 350 Ca -0.04 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.54 3drd h LYS 350 Cb 0.34 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.96 3drd h LYS 350 CO 0.07 0.55 0.53 1.25 -2.06 0.00 0.00 179.45 179.79 3drd h LEU 351 N 0.00 1.12 -0.71 2.94 6.46 -1.05 -2.18 115.31 121.89 3drd h LEU 351 Ca -0.01 -0.08 0.15 0.00 -0.12 0.00 0.00 57.88 57.83 3drd h LEU 351 Cb 1.12 -0.28 -0.11 0.00 -0.73 0.00 0.00 40.66 40.65 3drd h LEU 351 CO 0.07 0.88 0.10 -0.74 -0.62 0.00 0.00 178.44 178.13 3drd h HIS 352 N 1.27 0.13 -0.06 1.25 2.76 -0.55 -1.70 115.15 118.27 3drd h HIS 352 Ca 0.33 0.05 -0.21 0.00 -2.20 0.00 0.00 60.37 58.33 3drd h HIS 352 Cb -0.02 0.05 0.00 0.00 1.55 0.00 0.00 27.41 28.99 3drd h HIS 352 CO 0.01 -0.14 -0.84 0.74 -1.30 0.00 0.00 177.93 176.40 3drd h PHE 353 N 0.20 0.73 -0.88 5.26 -1.00 -1.49 -1.01 116.94 118.74 3drd h PHE 353 Ca 0.39 -0.35 0.04 0.00 2.81 0.00 0.00 57.97 60.85 3drd h PHE 353 Cb 0.67 -0.10 -0.05 0.00 3.61 0.00 0.00 35.95 40.08 3drd h PHE 353 CO -0.32 1.16 0.57 -0.07 -1.61 0.00 0.00 178.31 178.04 3drd h LEU 354 N 0.33 0.94 -0.50 1.54 3.38 -1.20 -2.28 115.31 117.52 3drd h LEU 354 Ca -0.06 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 3drd h LEU 354 Cb 1.46 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 3drd h LEU 354 CO 0.15 0.64 -0.74 -0.07 0.09 0.00 0.00 178.44 178.52 3drd h LEU 355 N 1.10 0.15 -0.42 1.67 3.38 -0.99 -2.95 115.31 117.24 3drd h LEU 355 Ca 0.35 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 58.04 3drd h LEU 355 Cb 0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3drd h LEU 355 CO -0.12 0.83 -0.67 -0.61 0.09 0.00 0.00 178.44 177.96 3drd h GLN 356 N 0.08 0.49 -0.58 1.13 5.75 -0.95 -2.46 115.11 118.57 3drd h GLN 356 Ca -0.02 -0.37 -0.00 0.00 -0.15 0.00 0.00 58.65 58.11 3drd h GLN 356 Cb 1.30 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.89 3drd h GLN 356 CO 0.11 0.99 0.36 0.22 -2.65 0.00 0.00 178.83 177.85 3drd h ASP 357 N 0.35 0.68 -0.59 -0.69 1.82 -1.43 -1.38 116.42 115.19 3drd h ASP 357 Ca -0.02 -0.03 0.04 0.00 -0.39 0.00 0.00 57.03 56.63 3drd h ASP 357 Cb 1.24 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 41.04 3drd h ASP 357 CO 0.12 0.52 0.39 0.25 -1.61 0.00 0.00 179.24 178.91 3drd h LEU 358 N 0.79 0.57 -1.15 2.28 6.46 -1.27 -1.61 115.31 121.39 3drd h LEU 358 Ca 0.21 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 3drd h LEU 358 Cb -0.05 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.75 3drd h LEU 358 CO -0.04 0.39 0.12 1.57 -0.62 0.00 0.00 178.44 179.86 3drd n HIS 359 N -4.47 0.59 0.24 1.25 -0.00 -0.52 -1.98 115.22 110.33 3drd n HIS 359 Ca 0.07 0.31 0.14 0.00 0.46 0.00 0.00 57.72 58.70 3drd n HIS 359 Cb 0.16 -0.91 0.40 0.00 -0.12 0.00 0.00 29.99 29.52 3drd n HIS 359 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3drd h ALA 360 N 1.66 0.98 -2.72 1.57 0.00 -1.38 -3.45 119.26 115.93 3drd h ALA 360 Ca 0.00 -0.04 -0.53 0.00 0.00 0.00 0.00 54.91 54.34 3drd h ALA 360 Cb 0.25 -0.01 0.06 0.00 0.00 0.00 0.00 17.79 18.09 3drd h ALA 360 CO 0.00 0.06 0.80 -0.51 0.00 0.00 0.00 179.25 179.60 3drd s LEU 361 N -6.26 4.38 0.39 0.00 1.43 -0.84 -4.91 118.68 112.87 3drd s LEU 361 Ca 0.04 2.69 0.25 0.00 -1.03 0.00 0.00 54.13 56.08 3drd s LEU 361 Cb 0.07 -3.62 1.37 0.00 0.03 0.00 0.00 46.19 44.04 3drd s LEU 361 CO 0.62 -0.75 1.76 1.55 0.23 0.00 0.00 176.35 179.76 3drd h PRO 362 N 5.43 0.00 -0.09 1.29 0.13 -1.91 -2.10 132.00 134.75 3drd h PRO 362 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3drd h PRO 362 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3drd h PRO 362 CO 0.81 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.30 3drd n HIS 363 N -2.39 0.15 -3.14 1.56 8.25 -1.26 -4.25 115.22 114.13 3drd n HIS 363 Ca -0.02 -0.55 -0.44 0.00 -0.26 0.00 0.00 57.72 56.45 3drd n HIS 363 Cb 0.07 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.06 3drd n HIS 363 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3drd s VAL 364 N -1.22 4.85 0.02 1.59 1.01 -0.79 -1.39 120.40 124.47 3drd s VAL 364 Ca 0.10 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 3drd s VAL 364 Cb 0.06 -4.32 -0.26 0.00 0.00 0.00 0.00 36.38 31.86 3drd s VAL 364 CO 0.04 -0.84 0.91 1.23 0.00 0.00 0.00 175.10 176.44 3drd h GLY 365 N 9.78 0.22 -4.81 4.51 0.00 -1.55 -3.46 103.07 107.77 3drd h GLY 365 Ca -0.28 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.37 3drd h GLY 365 CO 0.98 0.50 -0.21 -0.35 0.00 0.00 0.00 176.54 177.46 3drd s ASP 366 N -6.87 -0.35 -0.11 0.19 2.15 -1.14 -5.01 116.67 105.52 3drd s ASP 366 Ca -0.07 0.50 0.03 0.00 0.43 0.00 0.00 52.55 53.44 3drd s ASP 366 Cb 0.07 0.59 0.01 0.00 -0.30 0.00 0.00 42.92 43.29 3drd s ASP 366 CO 0.85 -0.32 -0.21 -0.63 -0.17 0.00 0.00 175.17 174.69 3drd s ILE 367 N -0.58 1.88 -0.01 4.11 -1.09 -1.26 -1.00 121.20 123.25 3drd s ILE 367 Ca -0.07 -0.89 0.06 0.00 -2.23 0.00 0.00 60.65 57.52 3drd s ILE 367 Cb -0.04 -1.66 -0.02 0.00 -1.58 0.00 0.00 42.46 39.17 3drd s ILE 367 CO 0.03 0.52 -0.21 -0.13 -1.23 0.00 0.00 174.94 173.92 3drd s ARG 368 N 0.66 1.65 -0.16 2.79 0.52 -0.19 -4.99 118.95 119.23 3drd s ARG 368 Ca -0.12 -0.75 -0.14 0.00 -0.52 0.00 0.00 55.73 54.20 3drd s ARG 368 Cb -0.16 -1.61 0.05 0.00 0.52 0.00 0.00 34.95 33.74 3drd s ARG 368 CO 0.03 0.44 0.43 -1.14 0.02 0.00 0.00 175.30 175.07 3drd s GLN 369 N -0.54 0.48 -0.25 3.54 0.74 -1.26 -0.51 119.66 121.86 3drd s GLN 369 Ca 0.08 0.64 -0.03 0.00 0.05 0.00 0.00 55.36 56.09 3drd s GLN 369 Cb -0.08 0.19 0.10 0.00 1.10 0.00 0.00 33.01 34.32 3drd s GLN 369 CO -0.01 -0.08 0.18 -1.17 -0.55 0.00 0.00 175.29 173.66 3drd s LEU 370 N 0.47 0.21 0.00 3.68 2.96 -0.47 -4.98 118.68 120.55 3drd s LEU 370 Ca -0.02 -0.84 0.00 0.00 -0.22 0.00 0.00 54.13 53.05 3drd s LEU 370 Cb -0.04 -0.00 0.00 0.00 0.50 0.00 0.00 46.19 46.65 3drd s LEU 370 CO -0.02 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.23 3drd n GLY 371 N 5.28 1.96 1.52 7.98 0.00 -1.25 -2.22 105.19 118.46 3drd n GLY 371 Ca -0.05 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.59 3drd n GLY 371 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3drd n PHE 372 N 13.02 1.53 -3.65 1.61 3.01 -0.20 -4.76 117.46 128.02 3drd n PHE 372 Ca 0.00 -0.59 -0.39 0.00 1.01 0.00 0.00 57.45 57.48 3drd n PHE 372 Cb 0.00 -0.42 -0.10 0.00 -0.01 0.00 0.00 39.48 38.95 3drd n PHE 372 CO 0.00 0.00 0.00 1.41 1.01 0.00 0.00 176.76 179.18 3drd s MET 373 N -2.25 2.36 0.17 -1.08 1.75 -0.94 -4.06 119.30 115.25 3drd s MET 373 Ca 0.38 -1.69 0.04 0.00 -1.25 0.00 0.00 55.69 53.18 3drd s MET 373 Cb 0.30 -3.75 -0.05 0.00 2.84 0.00 0.00 34.83 34.17 3drd s MET 373 CO 0.11 -1.08 -0.07 0.00 -0.65 0.00 0.00 175.02 173.33 3drd s GLY 375 N -3.21 -0.49 -0.35 0.00 0.00 0.34 -1.29 107.32 102.33 3drd s GLY 375 Ca 0.20 1.86 -0.00 0.00 0.00 0.00 0.00 44.72 46.78 3drd s GLY 375 CO 0.03 1.65 0.08 0.00 0.00 0.00 0.00 173.10 174.86 3drd s ALA 376 N 0.50 2.94 -0.23 3.20 0.00 -0.37 -1.02 121.76 126.78 3drd s ALA 376 Ca -0.01 -2.26 -0.28 0.00 0.00 0.00 0.00 51.96 49.41 3drd s ALA 376 Cb -0.05 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 20.98 3drd s ALA 376 CO -0.02 -1.58 0.98 -2.00 0.00 0.00 0.00 175.76 173.15 3drd s GLU 377 N 1.10 4.25 0.19 0.00 2.12 -0.17 -0.90 118.70 125.28 3drd s GLU 377 Ca 0.04 1.24 -0.11 0.00 0.36 0.00 0.00 54.97 56.50 3drd s GLU 377 Cb -0.21 -3.64 -0.07 0.00 0.26 0.00 0.00 34.13 30.48 3drd s GLU 377 CO -0.04 -0.58 0.52 -0.51 -0.54 0.00 0.00 175.26 174.11 3drd s LEU 378 N 3.03 4.24 -0.09 2.70 1.43 0.20 -1.46 118.68 128.73 3drd s LEU 378 Ca 0.42 0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 54.32 3drd s LEU 378 Cb -0.15 -3.47 0.03 0.00 0.03 0.00 0.00 46.19 42.62 3drd s LEU 378 CO 0.07 0.01 0.32 0.54 0.23 0.00 0.00 176.35 177.52 3drd s VAL 379 N -1.66 0.02 0.47 -1.59 0.11 -0.48 -4.67 120.40 112.59 3drd s VAL 379 Ca 0.43 -0.17 0.16 0.00 -2.93 0.00 0.00 61.98 59.47 3drd s VAL 379 Cb -0.13 -0.51 0.21 0.00 -1.53 0.00 0.00 36.38 34.42 3drd s VAL 379 CO 0.20 -0.09 2.04 -0.09 -3.33 0.00 0.00 175.10 173.83 3drd h ARG 380 N 5.03 0.00 -1.55 1.54 2.43 -1.11 -3.41 114.38 117.31 3drd h ARG 380 Ca -0.27 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 58.98 3drd h ARG 380 Cb 1.18 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.50 3drd h ARG 380 CO 0.33 0.14 0.55 -1.54 -1.51 0.00 0.00 179.97 177.94 3drd s SER 381 N -6.96 -0.37 -0.11 -3.80 1.04 -1.24 -4.92 113.70 97.34 3drd s SER 381 Ca -0.04 0.41 -0.14 0.00 0.48 0.00 0.00 55.95 56.66 3drd s SER 381 Cb 0.16 0.32 -0.27 0.00 0.10 0.00 0.00 66.02 66.33 3drd s SER 381 CO 0.68 -0.33 0.52 0.11 0.98 0.00 0.00 173.24 175.20 3drd h LYS 382 N 2.61 0.25 -0.76 4.02 1.57 -1.87 -1.51 116.57 120.89 3drd h LYS 382 Ca -0.18 -0.43 0.05 0.00 -1.87 0.00 0.00 60.65 58.21 3drd h LYS 382 Cb 1.16 0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.58 3drd h LYS 382 CO 0.30 1.21 0.47 1.05 -0.57 0.00 0.00 179.45 181.91 3drd h GLU 383 N -0.23 0.86 0.00 3.15 9.09 -1.99 -2.10 114.58 123.36 3drd h GLU 383 Ca -0.33 -0.05 -0.03 0.00 0.05 0.00 0.00 59.36 58.99 3drd h GLU 383 Cb 1.82 -0.19 -0.00 0.00 -1.65 0.00 0.00 28.75 28.73 3drd h GLU 383 CO 0.06 0.57 -0.16 0.00 0.05 0.00 0.00 179.01 179.53 3drd h THR 384 N 0.88 0.30 0.00 -1.06 1.03 -2.01 -3.46 112.91 108.60 3drd h THR 384 Ca 0.32 -1.26 0.00 0.00 -0.01 0.00 0.00 66.41 65.46 3drd h THR 384 Cb 0.10 2.00 0.00 0.00 -1.07 0.00 0.00 68.15 69.19 3drd h THR 384 CO -0.15 0.16 0.00 0.29 -0.01 0.00 0.00 175.52 175.81 3drd n LYS 385 N -3.17 -1.44 -1.78 0.00 5.02 -0.58 -4.89 118.16 111.32 3drd n LYS 385 Ca 0.02 0.25 -0.42 0.00 -2.02 0.00 0.00 58.31 56.14 3drd n LYS 385 Cb 0.54 -3.98 -0.03 0.00 -0.02 0.00 0.00 35.03 31.54 3drd n LYS 385 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3drd s GLU 386 N -1.18 4.16 0.51 1.97 2.12 -1.17 -4.83 118.70 120.28 3drd s GLU 386 Ca 0.00 2.50 -0.21 0.00 0.36 0.00 0.00 54.97 57.62 3drd s GLU 386 Cb 0.00 -3.83 -0.06 0.00 0.26 0.00 0.00 34.13 30.49 3drd s GLU 386 CO 0.00 -0.86 1.16 -1.25 -0.54 0.00 0.00 175.26 173.77 3drd s PRO 387 N 3.45 3.51 0.44 4.30 0.04 -1.26 -0.60 135.00 144.88 3drd s PRO 387 Ca 0.81 1.72 -0.25 0.00 0.04 0.00 0.00 61.00 63.31 3drd s PRO 387 Cb -0.42 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 31.84 3drd s PRO 387 CO 0.36 -0.74 1.40 0.66 0.04 0.00 0.00 177.00 178.72 3drd n TYR 388 N -0.93 2.60 -1.65 0.56 4.02 -1.26 -4.61 117.16 115.88 3drd n TYR 388 Ca 0.10 0.45 -0.42 0.00 -0.01 0.00 0.00 57.90 58.02 3drd n TYR 388 Cb 0.49 -2.45 0.01 0.00 -0.02 0.00 0.00 39.34 37.37 3drd n TYR 388 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3drd n PRO 389 N -0.11 1.66 0.01 -0.72 -0.04 -1.26 -4.86 135.00 129.68 3drd n PRO 389 Ca 0.05 0.59 -0.01 0.00 -0.04 0.00 0.00 63.50 64.09 3drd n PRO 389 Cb 0.41 -2.17 0.27 0.00 -0.04 0.00 0.00 33.50 31.97 3drd n PRO 389 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3drd h ALA 390 N 1.93 1.28 0.00 0.55 0.00 -2.03 -2.44 119.26 118.55 3drd h ALA 390 Ca -0.45 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3drd h ALA 390 Cb 1.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3drd h ALA 390 CO 0.59 0.48 0.00 -3.47 0.00 0.00 0.00 179.25 176.85 3drd n ASP 391 N -4.22 0.00 0.10 0.00 2.03 -1.26 -1.43 116.55 111.77 3drd n ASP 391 Ca 0.01 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.44 3drd n ASP 391 Cb 0.30 0.00 0.46 0.00 -0.72 0.00 0.00 41.12 41.16 3drd n ASP 391 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3drd n ARG 392 N -0.75 0.19 -3.51 -0.67 5.12 -0.92 -4.94 116.66 111.18 3drd n ARG 392 Ca 0.00 0.31 -0.21 0.00 -1.93 0.00 0.00 57.85 56.02 3drd n ARG 392 Cb 0.00 -1.79 0.08 0.00 -1.16 0.00 0.00 32.46 29.59 3drd n ARG 392 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3drd n ARG 393 N -2.12 -7.34 0.12 5.56 5.12 -0.51 -4.88 116.66 112.60 3drd n ARG 393 Ca 0.04 0.81 -0.13 0.00 -1.93 0.00 0.00 57.85 56.64 3drd n ARG 393 Cb 0.30 -5.79 -0.08 0.00 -1.16 0.00 0.00 32.46 25.73 3drd n ARG 393 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 3drd h ILE 394 N -2.38 0.88 -0.25 0.55 1.08 -1.86 -0.56 117.51 114.97 3drd h ILE 394 Ca -0.56 -0.29 0.06 0.00 -0.39 0.00 0.00 64.86 63.68 3drd h ILE 394 Cb 1.35 1.06 -0.06 0.00 -3.07 0.00 0.00 36.82 36.10 3drd h ILE 394 CO 0.52 0.07 -0.15 1.23 -0.69 0.00 0.00 178.15 179.14 3drd h GLY 395 N -0.39 0.04 0.41 5.37 0.00 -1.87 -0.47 103.07 106.16 3drd h GLY 395 Ca -0.03 0.18 0.07 0.00 0.00 0.00 0.00 47.33 47.56 3drd h GLY 395 CO 0.04 -0.16 0.05 -1.82 0.00 0.00 0.00 176.54 174.66 3drd h TYR 396 N -0.12 0.07 0.00 5.60 3.20 -1.77 -0.75 116.97 123.20 3drd h TYR 396 Ca 0.13 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 3drd h TYR 396 Cb 0.33 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 3drd h TYR 396 CO -0.32 -0.03 -0.16 1.57 -1.64 0.00 0.00 178.16 177.58 3drd h LYS 397 N 0.17 0.00 -0.19 1.82 2.10 -0.79 -1.79 116.57 117.89 3drd h LYS 397 Ca 0.21 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.81 3drd h LYS 397 Cb 0.27 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 3drd h LYS 397 CO -0.30 0.16 -0.04 0.28 -2.00 0.00 0.00 179.45 177.55 3drd h VAL 398 N 0.00 1.29 -0.86 0.07 2.07 -0.90 -0.99 116.25 116.92 3drd h VAL 398 Ca -0.00 -1.02 0.06 0.00 0.82 0.00 0.00 66.70 66.56 3drd h VAL 398 Cb 0.95 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 32.22 3drd h VAL 398 CO 0.02 0.31 0.53 0.77 0.02 0.00 0.00 177.57 179.22 3drd h SER 399 N 0.09 0.84 -0.47 0.57 4.64 -0.84 0.12 113.55 118.51 3drd h SER 399 Ca 0.05 0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.28 3drd h SER 399 Cb 0.49 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3drd h SER 399 CO 0.02 0.54 -0.11 -0.07 -0.87 0.00 0.00 176.83 176.34 3drd h LEU 400 N 0.98 0.91 -0.17 5.97 4.07 -1.33 -1.85 115.31 123.88 3drd h LEU 400 Ca 0.37 -0.36 0.03 0.00 0.08 0.00 0.00 57.88 58.00 3drd h LEU 400 Cb 0.16 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.63 3drd h LEU 400 CO -0.17 1.06 -0.00 0.50 -1.08 0.00 0.00 178.44 178.74 3drd h LYS 401 N 0.75 0.05 -0.75 1.13 1.63 -0.74 -1.96 116.57 116.68 3drd h LYS 401 Ca 0.12 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.94 3drd h LYS 401 Cb 0.66 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.23 3drd h LYS 401 CO 0.05 0.03 0.50 0.52 -3.45 0.00 0.00 179.45 177.10 3drd h MET 402 N 0.05 0.94 0.28 1.90 2.86 -0.68 -1.08 114.93 119.20 3drd h MET 402 Ca 0.08 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3drd h MET 402 Cb 0.10 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.55 3drd h MET 402 CO -0.14 0.62 -0.13 -0.09 1.06 0.00 0.00 176.91 178.23 3drd h ARG 403 N 0.96 -0.36 -0.75 1.72 2.43 -0.95 0.18 114.38 117.61 3drd h ARG 403 Ca 0.29 0.02 0.17 0.00 -0.81 0.00 0.00 59.98 59.65 3drd h ARG 403 Cb -0.02 0.08 -0.12 0.00 -0.42 0.00 0.00 29.97 29.49 3drd h ARG 403 CO -0.08 -0.24 0.16 0.93 -1.51 0.00 0.00 179.97 179.23 3drd h GLU 404 N -0.38 0.23 0.00 0.20 5.08 -0.78 0.28 114.58 119.22 3drd h GLU 404 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3drd h GLU 404 Cb 0.29 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3drd h GLU 404 CO 0.06 0.15 0.00 1.28 -1.00 0.00 0.00 179.01 179.51 3drd n LEU 405 N -5.19 0.00 -0.28 1.33 4.32 -0.46 -4.88 117.00 111.84 3drd n LEU 405 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 3drd n LEU 405 Cb 0.49 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 3drd n LEU 405 CO 0.11 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.89 3drd n GLY 406 N 0.20 0.84 2.98 -0.72 0.00 1.00 -5.00 105.19 104.50 3drd n GLY 406 Ca 0.13 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 3drd n GLY 406 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3drd s MET 407 N -4.00 0.14 -0.14 1.61 0.00 0.52 -0.66 119.30 116.77 3drd s MET 407 Ca 0.00 0.44 -0.08 0.00 0.00 0.00 0.00 55.69 56.05 3drd s MET 407 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 34.83 34.64 3drd s MET 407 CO 0.00 -0.16 0.14 -0.51 0.00 0.00 0.00 175.02 174.49 3drd s LEU 408 N 1.20 4.34 0.24 4.11 1.43 0.17 -2.36 118.68 127.80 3drd s LEU 408 Ca -0.09 0.40 -0.17 0.00 -1.03 0.00 0.00 54.13 53.24 3drd s LEU 408 Cb -0.11 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 44.04 3drd s LEU 408 CO -0.07 0.34 0.57 0.28 0.23 0.00 0.00 176.35 177.70 3drd s THR 409 N -0.61 0.01 -0.15 5.49 -1.32 -1.26 -1.17 115.64 116.62 3drd s THR 409 Ca 0.13 -1.07 0.01 0.00 -1.21 0.00 0.00 61.69 59.55 3drd s THR 409 Cb -0.12 -1.94 0.01 0.00 -1.51 0.00 0.00 72.50 68.94 3drd s THR 409 CO 0.02 -0.04 -0.19 -0.60 -2.21 0.00 0.00 174.62 171.60 3drd s ARG 410 N -3.94 3.08 0.42 7.08 3.52 -1.26 -4.90 118.95 122.95 3drd s ARG 410 Ca 0.14 -0.81 -0.24 0.00 -0.13 0.00 0.00 55.73 54.69 3drd s ARG 410 Cb -0.02 -2.53 -0.08 0.00 -1.56 0.00 0.00 34.95 30.75 3drd s ARG 410 CO 0.05 -0.04 1.09 -1.25 -0.81 0.00 0.00 175.30 174.34 3drd s PRO 411 N 0.91 4.03 -0.52 5.12 0.04 -1.26 -3.54 135.00 139.77 3drd s PRO 411 Ca -0.04 1.61 -0.04 0.00 0.04 0.00 0.00 61.00 62.57 3drd s PRO 411 Cb -0.15 -2.50 0.14 0.00 0.04 0.00 0.00 34.50 32.02 3drd s PRO 411 CO -0.03 -0.28 0.34 -0.51 0.04 0.00 0.00 177.00 176.55 3drd s LEU 412 N -2.76 5.34 0.00 -3.56 2.01 0.85 -4.96 118.68 115.60 3drd s LEU 412 Ca 0.60 -2.39 0.00 0.00 0.01 0.00 0.00 54.13 52.35 3drd s LEU 412 Cb -0.24 -1.87 0.00 0.00 0.01 0.00 0.00 46.19 44.09 3drd s LEU 412 CO 0.30 -0.49 0.00 0.61 1.01 0.00 0.00 176.35 177.79 3drd n GLY 413 N 4.14 3.56 1.87 -3.19 0.00 -1.26 -1.11 105.19 109.20 3drd n GLY 413 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 3drd n GLY 413 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3drd n ASP 414 N 5.16 4.96 -4.62 1.61 10.43 -1.26 -4.00 116.55 128.82 3drd n ASP 414 Ca 0.00 -3.01 -0.38 0.00 2.57 0.00 0.00 54.79 53.97 3drd n ASP 414 Cb 0.00 -0.71 -0.10 0.00 1.84 0.00 0.00 41.12 42.15 3drd n ASP 414 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3drd s VAL 415 N -2.72 5.30 -0.30 2.53 1.01 -0.26 -0.62 120.40 125.32 3drd s VAL 415 Ca 0.51 0.28 -0.21 0.00 0.00 0.00 0.00 61.98 62.56 3drd s VAL 415 Cb 0.40 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 3drd s VAL 415 CO 0.13 0.27 0.64 -0.63 0.00 0.00 0.00 175.10 175.52 3drd s ILE 416 N 1.52 4.93 0.18 2.22 -1.09 -0.08 -0.10 121.20 128.77 3drd s ILE 416 Ca 0.09 0.89 -0.27 0.00 -2.23 0.00 0.00 60.65 59.14 3drd s ILE 416 Cb -0.15 -4.01 -0.08 0.00 -1.58 0.00 0.00 42.46 36.64 3drd s ILE 416 CO 0.08 -0.14 0.83 0.00 -1.23 0.00 0.00 174.94 174.48 3drd s ALA 417 N 2.63 3.41 -0.28 9.38 0.00 -1.23 -1.24 121.76 134.43 3drd s ALA 417 Ca 0.26 0.44 -0.00 0.00 0.00 0.00 0.00 51.96 52.66 3drd s ALA 417 Cb -0.15 -3.05 0.08 0.00 0.00 0.00 0.00 23.12 20.01 3drd s ALA 417 CO 0.12 0.25 0.05 0.12 0.00 0.00 0.00 175.76 176.29 3drd s PHE 418 N -1.07 2.07 -0.49 0.00 5.36 -0.41 -4.61 117.98 118.83 3drd s PHE 418 Ca 0.38 -1.80 0.05 0.00 -0.96 0.00 0.00 56.93 54.60 3drd s PHE 418 Cb -0.24 -1.76 0.19 0.00 -0.34 0.00 0.00 43.02 40.87 3drd s PHE 418 CO 0.28 -0.83 0.43 1.28 -1.46 0.00 0.00 175.22 174.92 3drd n LEU 419 N 4.75 0.68 -4.83 6.12 4.32 -0.74 -1.72 117.00 125.58 3drd n LEU 419 Ca -0.04 -4.68 -0.32 0.00 -0.02 0.00 0.00 56.01 50.95 3drd n LEU 419 Cb 0.43 0.18 0.01 0.00 -1.62 0.00 0.00 43.42 42.42 3drd n LEU 419 CO 0.15 1.88 0.71 -2.16 -1.22 0.00 0.00 177.39 176.74 3drd s PRO 420 N -0.62 3.40 0.29 3.23 0.04 -1.18 -2.53 135.00 137.62 3drd s PRO 420 Ca 0.32 0.97 -0.28 0.00 0.04 0.00 0.00 61.00 62.05 3drd s PRO 420 Cb 0.04 -2.05 -0.14 0.00 0.04 0.00 0.00 34.50 32.39 3drd s PRO 420 CO -0.17 -0.73 0.92 -2.30 0.04 0.00 0.00 177.00 174.76 3drd n PRO 421 N -2.45 1.12 0.30 0.56 -0.02 -1.26 -4.84 135.00 128.41 3drd n PRO 421 Ca 0.07 0.39 0.20 0.00 -2.02 0.00 0.00 63.50 62.15 3drd n PRO 421 Cb 0.54 -1.71 0.99 0.00 -0.02 0.00 0.00 33.50 33.29 3drd n PRO 421 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3drd h LEU 422 N 1.77 0.00 -0.00 2.45 4.07 -1.49 -0.91 115.31 121.20 3drd h LEU 422 Ca -0.38 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.58 3drd h LEU 422 Cb 1.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.10 3drd h LEU 422 CO 0.59 0.00 -0.02 0.00 -1.08 0.00 0.00 178.44 177.94 3drd n ALA 423 N -2.05 2.41 -1.59 1.53 0.00 -0.70 -4.80 120.51 115.31 3drd n ALA 423 Ca -0.02 -0.12 -0.50 0.00 0.00 0.00 0.00 53.44 52.81 3drd n ALA 423 Cb 0.15 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.09 3drd n ALA 423 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3drd n SER 424 N -1.44 1.59 -4.90 0.00 7.64 -0.35 -4.98 113.62 111.19 3drd n SER 424 Ca 0.09 1.13 -0.29 0.00 1.01 0.00 0.00 58.87 60.81 3drd n SER 424 Cb 0.32 -1.23 0.05 0.00 -1.01 0.00 0.00 64.21 62.34 3drd n SER 424 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3drd s THR 425 N 0.10 3.10 0.29 0.44 -4.23 -1.26 -4.86 115.64 109.21 3drd s THR 425 Ca 0.77 0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 61.49 3drd s THR 425 Cb -0.87 -3.33 0.28 0.00 1.34 0.00 0.00 72.50 69.92 3drd s THR 425 CO 0.50 -0.41 1.90 0.00 -0.54 0.00 0.00 174.62 176.07 3drd h ALA 426 N -0.63 1.46 -0.07 3.99 0.00 -1.95 -0.06 119.26 122.00 3drd h ALA 426 Ca -0.45 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 3drd h ALA 426 Cb 1.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3drd h ALA 426 CO 0.63 0.39 -0.61 1.05 0.00 0.00 0.00 179.25 180.72 3drd h GLU 427 N 1.10 0.25 -0.23 0.00 9.09 -2.00 -2.81 114.58 119.98 3drd h GLU 427 Ca 0.41 -0.17 -0.10 0.00 0.05 0.00 0.00 59.36 59.55 3drd h GLU 427 Cb 0.19 0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 27.31 3drd h GLU 427 CO -0.16 0.78 -0.24 0.93 0.05 0.00 0.00 179.01 180.37 3drd h GLU 428 N 0.18 0.57 -0.38 1.06 5.08 -1.70 -1.97 114.58 117.42 3drd h GLU 428 Ca -0.01 -0.30 0.07 0.00 -1.00 0.00 0.00 59.36 58.12 3drd h GLU 428 Cb 1.11 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.31 3drd h GLU 428 CO 0.09 0.90 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.87 3drd h LEU 429 N 0.26 -0.28 -1.11 1.33 3.38 -1.02 0.14 115.31 118.01 3drd h LEU 429 Ca 0.03 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 3drd h LEU 429 Cb 0.80 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3drd h LEU 429 CO 0.06 -0.10 -0.28 0.77 0.09 0.00 0.00 178.44 178.98 3drd h SER 430 N 0.03 0.28 -0.65 -0.43 4.64 -1.48 0.26 113.55 116.21 3drd h SER 430 Ca 0.18 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.35 3drd h SER 430 Cb 0.27 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 3drd h SER 430 CO -0.36 0.56 0.17 -0.33 -0.87 0.00 0.00 176.83 176.00 3drd h GLU 431 N 0.25 1.05 -0.05 4.77 5.08 -0.82 -0.63 114.58 124.23 3drd h GLU 431 Ca 0.04 -0.24 -0.23 0.00 -1.00 0.00 0.00 59.36 57.93 3drd h GLU 431 Cb 0.63 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.74 3drd h GLU 431 CO 0.05 0.93 -0.89 0.52 -1.00 0.00 0.00 179.01 178.61 3drd h MET 432 N 1.00 0.58 -0.60 2.33 2.86 0.01 -2.90 114.93 118.22 3drd h MET 432 Ca 0.21 -0.56 -0.05 0.00 -2.06 0.00 0.00 59.70 57.24 3drd h MET 432 Cb 0.34 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 3drd h MET 432 CO -0.00 1.18 0.19 0.28 1.06 0.00 0.00 176.91 179.61 3drd h VAL 433 N 0.36 1.24 -0.56 -2.22 2.07 -0.46 -1.90 116.25 114.79 3drd h VAL 433 Ca -0.08 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 3drd h VAL 433 Cb 1.52 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 3drd h VAL 433 CO 0.17 0.32 0.31 0.00 0.02 0.00 0.00 177.57 178.38 3drd h ALA 434 N 1.06 1.49 -0.12 1.67 0.00 -1.10 0.36 119.26 122.61 3drd h ALA 434 Ca 0.19 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3drd h ALA 434 Cb 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3drd h ALA 434 CO -0.01 0.42 -0.23 0.82 0.00 0.00 0.00 179.25 180.26 3drd h ILE 435 N 0.77 1.37 -0.61 0.00 2.04 -1.37 -1.85 117.51 117.86 3drd h ILE 435 Ca 0.20 -1.49 0.09 0.00 1.00 0.00 0.00 64.86 64.66 3drd h ILE 435 Cb 0.01 2.04 -0.07 0.00 -0.74 0.00 0.00 36.82 38.06 3drd h ILE 435 CO -0.03 0.43 0.25 -0.03 0.00 0.00 0.00 178.15 178.77 3drd h MET 436 N -0.04 0.44 0.38 2.37 4.05 -0.98 -1.17 114.93 119.98 3drd h MET 436 Ca 0.01 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 3drd h MET 436 Cb 0.81 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.51 3drd h MET 436 CO 0.05 0.29 -0.18 -0.22 0.23 0.00 0.00 176.91 177.08 3drd h LYS 437 N 0.45 -0.50 -0.79 0.39 3.64 -0.89 -0.96 116.57 117.91 3drd h LYS 437 Ca 0.30 0.03 0.17 0.00 -1.27 0.00 0.00 60.65 59.89 3drd h LYS 437 Cb 0.35 0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 32.17 3drd h LYS 437 CO -0.28 -0.26 0.26 0.37 -2.27 0.00 0.00 179.45 177.27 3drd h GLN 438 N -0.63 0.33 -0.28 1.90 4.15 -1.24 -0.43 115.11 118.92 3drd h GLN 438 Ca -0.05 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.24 3drd h GLN 438 Cb 0.46 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.07 3drd h GLN 438 CO 0.09 0.22 -0.25 0.00 -1.93 0.00 0.00 178.83 176.95 3drd h ALA 439 N 1.63 0.41 -0.51 3.38 0.00 -0.89 -0.72 119.26 122.55 3drd h ALA 439 Ca 0.46 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3drd h ALA 439 Cb 0.79 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3drd h ALA 439 CO -0.50 0.39 0.27 0.82 0.00 0.00 0.00 179.25 180.23 3drd h ILE 440 N 0.40 1.18 0.38 0.00 2.04 -0.99 -2.21 117.51 118.32 3drd h ILE 440 Ca 0.05 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 3drd h ILE 440 Cb 0.81 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3drd h ILE 440 CO 0.06 0.20 -0.36 -0.74 0.00 0.00 0.00 178.15 177.32 3drd h HIS 441 N 0.68 -0.96 -0.35 1.37 2.76 -0.85 -1.08 115.15 116.72 3drd h HIS 441 Ca 0.18 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 3drd h HIS 441 Cb 0.08 0.37 -0.02 0.00 1.55 0.00 0.00 27.41 29.39 3drd h HIS 441 CO -0.01 -0.50 0.18 0.93 -1.30 0.00 0.00 177.93 177.23 3drd h GLU 442 N -0.75 0.50 -0.24 5.26 5.08 -1.10 -1.14 114.58 122.18 3drd h GLU 442 Ca -0.03 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3drd h GLU 442 Cb 0.67 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3drd h GLU 442 CO -0.05 0.43 0.06 0.28 -1.00 0.00 0.00 179.01 178.73 3drd h VAL 443 N 0.44 1.21 -0.00 3.13 2.07 -1.42 -3.37 116.25 118.30 3drd h VAL 443 Ca 0.12 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 3drd h VAL 443 Cb 0.09 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3drd h VAL 443 CO -0.02 0.22 -0.16 0.74 0.02 0.00 0.00 177.57 178.37 3drd h THR 444 N 0.22 1.57 0.00 2.57 2.02 -1.09 -2.96 112.91 115.23 3drd h THR 444 Ca 0.08 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.36 3drd h THR 444 Cb 0.27 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 3drd h THR 444 CO 0.00 0.51 0.00 -1.54 0.37 0.00 0.00 175.52 174.86 3drd n SER 445 N -4.58 0.00 -0.01 4.18 3.41 -0.44 -1.98 113.62 114.20 3drd n SER 445 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 3drd n SER 445 Cb 0.46 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3drd n SER 445 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3drd n LEU 446 N -0.83 0.25 0.00 1.04 -0.00 -1.12 -5.10 117.00 111.25 3drd n LEU 446 Ca 0.00 -0.61 0.00 0.00 -0.00 0.00 0.00 56.01 55.40 3drd n LEU 446 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3drd n LEU 446 CO 0.00 0.06 0.00 -1.84 -0.00 0.00 0.00 177.39 175.61